USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 775 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 ASN : amide:sc= -0.281 K(o=-0.26,f=-3.6!) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.0229 K(o=-0.26,f=-6.6!) USER MOD Set 2.1: A 51 SER OG : rot 76:sc= 1.8 USER MOD Set 2.2: A 56 LYS NZ :NH3+ -171:sc= 0.656 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 143:sc= 0.00834 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00725 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 3 GLN : amide:sc=-0.00255 X(o=-0.0026,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 6 SER OG : rot -119:sc= -0.048 USER MOD Single : A 7 SER OG : rot 180:sc=-0.00265 USER MOD Single : A 12 THR OG1 : rot 27:sc= 0.227 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -170:sc= 0 (180deg=-0.047) USER MOD Single : A 31 ASN : amide:sc= -0.517 K(o=-0.52,f=-5.8!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc=-0.000864 USER MOD Single : A 65 GLN : amide:sc= -0.0645 X(o=-0.065,f=-0.29) USER MOD Single : A 66 GLN : amide:sc= -0.0829 X(o=-0.083,f=-0.085) USER MOD Single : A 73 GLN : amide:sc= 0.294 K(o=0.29,f=-0.59) USER MOD Single : A 80 SER OG : rot 72:sc= 0.198 USER MOD Single : A 89 GLN : amide:sc= 0.964 K(o=0.96,f=-0.43) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= 1.13 (180deg=1.05) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.655 -0.312 -0.422 1.00 25.00 N ATOM 2 CA SER A 1 3.628 -0.643 -1.554 1.00 25.00 C ATOM 3 C SER A 1 4.675 0.442 -1.783 1.00 25.00 C ATOM 4 O SER A 1 4.412 1.621 -1.740 1.00 25.00 O ATOM 5 CB SER A 1 2.813 -0.839 -2.843 1.00 25.00 C ATOM 6 OG SER A 1 1.866 -1.778 -2.717 1.00 25.00 O ATOM 0 H1 SER A 1 1.704 -0.651 -0.672 1.00 25.00 H new ATOM 0 H2 SER A 1 2.970 -0.777 0.453 1.00 25.00 H new ATOM 0 H3 SER A 1 2.629 0.717 -0.277 1.00 25.00 H new ATOM 0 HA SER A 1 4.170 -1.546 -1.274 1.00 25.00 H new ATOM 0 HB2 SER A 1 2.347 0.106 -3.121 1.00 25.00 H new ATOM 0 HB3 SER A 1 3.486 -1.114 -3.655 1.00 25.00 H new ATOM 0 HG SER A 1 1.376 -1.863 -3.561 1.00 25.00 H new ATOM 14 N GLN A 2 5.917 0.002 -2.021 1.00 25.00 N ATOM 15 CA GLN A 2 7.046 0.894 -2.282 1.00 25.00 C ATOM 16 C GLN A 2 7.787 0.321 -3.482 1.00 25.00 C ATOM 17 O GLN A 2 7.908 -0.896 -3.597 1.00 25.00 O ATOM 18 CB GLN A 2 7.980 0.949 -1.066 1.00 25.00 C ATOM 19 CG GLN A 2 7.331 1.543 0.184 1.00 25.00 C ATOM 20 CD GLN A 2 8.272 1.567 1.368 1.00 25.00 C ATOM 21 OE1 GLN A 2 8.826 0.551 1.751 1.00 25.00 O ATOM 22 NE2 GLN A 2 8.442 2.720 1.959 1.00 25.00 N ATOM 0 H GLN A 2 6.165 -0.987 -2.037 1.00 25.00 H new ATOM 0 HA GLN A 2 6.701 1.909 -2.477 1.00 25.00 H new ATOM 0 HB2 GLN A 2 8.326 -0.059 -0.840 1.00 25.00 H new ATOM 0 HB3 GLN A 2 8.860 1.539 -1.322 1.00 25.00 H new ATOM 0 HG2 GLN A 2 6.997 2.558 -0.031 1.00 25.00 H new ATOM 0 HG3 GLN A 2 6.444 0.963 0.440 1.00 25.00 H new ATOM 0 HE21 GLN A 2 7.961 3.548 1.609 1.00 25.00 H new ATOM 0 HE22 GLN A 2 9.056 2.792 2.770 1.00 25.00 H new ATOM 31 N GLN A 3 8.237 1.178 -4.388 1.00 25.00 N ATOM 32 CA GLN A 3 8.896 0.719 -5.613 1.00 25.00 C ATOM 33 C GLN A 3 9.898 1.760 -6.137 1.00 25.00 C ATOM 34 O GLN A 3 9.644 2.442 -7.131 1.00 25.00 O ATOM 35 CB GLN A 3 7.827 0.409 -6.677 1.00 25.00 C ATOM 36 CG GLN A 3 8.344 -0.391 -7.871 1.00 25.00 C ATOM 37 CD GLN A 3 7.268 -0.632 -8.906 1.00 25.00 C ATOM 38 OE1 GLN A 3 6.239 -1.216 -8.624 1.00 25.00 O ATOM 39 NE2 GLN A 3 7.503 -0.178 -10.111 1.00 25.00 N ATOM 0 H GLN A 3 8.161 2.192 -4.303 1.00 25.00 H new ATOM 0 HA GLN A 3 9.460 -0.186 -5.389 1.00 25.00 H new ATOM 0 HB2 GLN A 3 7.014 -0.145 -6.208 1.00 25.00 H new ATOM 0 HB3 GLN A 3 7.407 1.348 -7.038 1.00 25.00 H new ATOM 0 HG2 GLN A 3 9.175 0.143 -8.331 1.00 25.00 H new ATOM 0 HG3 GLN A 3 8.733 -1.348 -7.524 1.00 25.00 H new ATOM 0 HE21 GLN A 3 8.377 0.307 -10.312 1.00 25.00 H new ATOM 0 HE22 GLN A 3 6.812 -0.310 -10.849 1.00 25.00 H new ATOM 48 N SER A 4 11.031 1.891 -5.462 1.00 25.00 N ATOM 49 CA SER A 4 12.057 2.849 -5.870 1.00 25.00 C ATOM 50 C SER A 4 13.384 2.152 -6.157 1.00 25.00 C ATOM 51 O SER A 4 13.791 1.238 -5.449 1.00 25.00 O ATOM 52 CB SER A 4 12.250 3.914 -4.785 1.00 25.00 C ATOM 53 OG SER A 4 12.573 3.317 -3.542 1.00 25.00 O ATOM 0 H SER A 4 11.266 1.349 -4.631 1.00 25.00 H new ATOM 0 HA SER A 4 11.719 3.329 -6.789 1.00 25.00 H new ATOM 0 HB2 SER A 4 13.044 4.600 -5.081 1.00 25.00 H new ATOM 0 HB3 SER A 4 11.340 4.505 -4.684 1.00 25.00 H new ATOM 0 HG SER A 4 12.693 4.015 -2.865 1.00 25.00 H new ATOM 59 N HIS A 5 14.032 2.599 -7.224 1.00 25.00 N ATOM 60 CA HIS A 5 15.360 2.134 -7.622 1.00 25.00 C ATOM 61 C HIS A 5 15.845 3.126 -8.673 1.00 25.00 C ATOM 62 O HIS A 5 15.052 3.545 -9.530 1.00 25.00 O ATOM 63 CB HIS A 5 15.308 0.727 -8.228 1.00 25.00 C ATOM 64 CG HIS A 5 16.660 0.146 -8.494 1.00 25.00 C ATOM 65 ND1 HIS A 5 17.568 -0.175 -7.516 1.00 25.00 N ATOM 66 CD2 HIS A 5 17.278 -0.164 -9.667 1.00 25.00 C ATOM 67 CE1 HIS A 5 18.662 -0.649 -8.106 1.00 25.00 C ATOM 68 NE2 HIS A 5 18.538 -0.671 -9.417 1.00 25.00 N ATOM 0 H HIS A 5 13.646 3.306 -7.850 1.00 25.00 H new ATOM 0 HA HIS A 5 16.023 2.080 -6.759 1.00 25.00 H new ATOM 0 HB2 HIS A 5 14.764 0.068 -7.552 1.00 25.00 H new ATOM 0 HB3 HIS A 5 14.745 0.762 -9.161 1.00 25.00 H new ATOM 0 HD2 HIS A 5 16.846 -0.033 -10.648 1.00 25.00 H new ATOM 0 HE1 HIS A 5 19.544 -0.976 -7.575 1.00 25.00 H new ATOM 0 HE2 HIS A 5 19.224 -0.993 -10.100 1.00 25.00 H new ATOM 76 N SER A 6 17.101 3.539 -8.592 1.00 25.00 N ATOM 77 CA SER A 6 17.653 4.553 -9.489 1.00 25.00 C ATOM 78 C SER A 6 19.167 4.408 -9.543 1.00 25.00 C ATOM 79 O SER A 6 19.732 3.508 -8.925 1.00 25.00 O ATOM 80 CB SER A 6 17.295 5.942 -8.964 1.00 25.00 C ATOM 81 OG SER A 6 17.734 6.079 -7.631 1.00 25.00 O ATOM 0 H SER A 6 17.767 3.184 -7.906 1.00 25.00 H new ATOM 0 HA SER A 6 17.238 4.422 -10.488 1.00 25.00 H new ATOM 0 HB2 SER A 6 17.757 6.707 -9.589 1.00 25.00 H new ATOM 0 HB3 SER A 6 16.217 6.094 -9.019 1.00 25.00 H new ATOM 0 HG SER A 6 16.964 6.247 -7.049 1.00 25.00 H new ATOM 87 N SER A 7 19.814 5.285 -10.296 1.00 25.00 N ATOM 88 CA SER A 7 21.266 5.296 -10.434 1.00 25.00 C ATOM 89 C SER A 7 21.672 6.754 -10.643 1.00 25.00 C ATOM 90 O SER A 7 20.821 7.573 -11.015 1.00 25.00 O ATOM 91 CB SER A 7 21.673 4.449 -11.643 1.00 25.00 C ATOM 92 OG SER A 7 21.186 3.124 -11.500 1.00 25.00 O ATOM 0 H SER A 7 19.345 6.015 -10.833 1.00 25.00 H new ATOM 0 HA SER A 7 21.757 4.880 -9.554 1.00 25.00 H new ATOM 0 HB2 SER A 7 21.278 4.893 -12.557 1.00 25.00 H new ATOM 0 HB3 SER A 7 22.759 4.437 -11.739 1.00 25.00 H new ATOM 0 HG SER A 7 21.451 2.592 -12.279 1.00 25.00 H new ATOM 98 N PRO A 8 22.951 7.108 -10.409 1.00 25.00 N ATOM 99 CA PRO A 8 23.332 8.503 -10.662 1.00 25.00 C ATOM 100 C PRO A 8 23.463 8.795 -12.158 1.00 25.00 C ATOM 101 O PRO A 8 23.370 7.892 -12.988 1.00 25.00 O ATOM 102 CB PRO A 8 24.686 8.612 -9.959 1.00 25.00 C ATOM 103 CG PRO A 8 25.271 7.268 -10.121 1.00 25.00 C ATOM 104 CD PRO A 8 24.109 6.320 -9.942 1.00 25.00 C ATOM 0 HA PRO A 8 22.592 9.218 -10.302 1.00 25.00 H new ATOM 0 HB2 PRO A 8 25.313 9.379 -10.413 1.00 25.00 H new ATOM 0 HB3 PRO A 8 24.572 8.875 -8.907 1.00 25.00 H new ATOM 0 HG2 PRO A 8 25.730 7.151 -11.103 1.00 25.00 H new ATOM 0 HG3 PRO A 8 26.050 7.083 -9.381 1.00 25.00 H new ATOM 0 HD2 PRO A 8 24.239 5.410 -10.528 1.00 25.00 H new ATOM 0 HD3 PRO A 8 23.995 6.016 -8.902 1.00 25.00 H new ATOM 112 N GLY A 9 23.697 10.056 -12.491 1.00 25.00 N ATOM 113 CA GLY A 9 23.872 10.451 -13.883 1.00 25.00 C ATOM 114 C GLY A 9 24.877 11.575 -14.018 1.00 25.00 C ATOM 115 O GLY A 9 25.962 11.367 -14.534 1.00 25.00 O ATOM 0 H GLY A 9 23.770 10.821 -11.820 1.00 25.00 H new ATOM 0 HA2 GLY A 9 24.204 9.593 -14.467 1.00 25.00 H new ATOM 0 HA3 GLY A 9 22.914 10.766 -14.296 1.00 25.00 H new ATOM 119 N GLU A 10 24.514 12.753 -13.514 1.00 25.00 N ATOM 120 CA GLU A 10 25.404 13.932 -13.487 1.00 25.00 C ATOM 121 C GLU A 10 25.888 14.362 -14.887 1.00 25.00 C ATOM 122 O GLU A 10 26.947 14.947 -15.055 1.00 25.00 O ATOM 123 CB GLU A 10 26.576 13.656 -12.527 1.00 25.00 C ATOM 124 CG GLU A 10 27.009 14.865 -11.694 1.00 25.00 C ATOM 125 CD GLU A 10 27.950 14.478 -10.548 1.00 25.00 C ATOM 126 OE1 GLU A 10 28.283 15.364 -9.730 1.00 25.00 O ATOM 127 OE2 GLU A 10 28.309 13.284 -10.431 1.00 25.00 O ATOM 0 H GLU A 10 23.594 12.926 -13.110 1.00 25.00 H new ATOM 0 HA GLU A 10 24.829 14.782 -13.119 1.00 25.00 H new ATOM 0 HB2 GLU A 10 26.295 12.847 -11.852 1.00 25.00 H new ATOM 0 HB3 GLU A 10 27.430 13.305 -13.107 1.00 25.00 H new ATOM 0 HG2 GLU A 10 27.506 15.589 -12.340 1.00 25.00 H new ATOM 0 HG3 GLU A 10 26.126 15.356 -11.285 1.00 25.00 H new ATOM 134 N ILE A 11 25.058 14.096 -15.890 1.00 25.00 N ATOM 135 CA ILE A 11 25.334 14.385 -17.272 1.00 25.00 C ATOM 136 C ILE A 11 25.038 15.866 -17.567 1.00 25.00 C ATOM 137 O ILE A 11 25.230 16.397 -18.662 1.00 25.00 O ATOM 138 CB ILE A 11 24.428 13.386 -18.084 1.00 25.00 C ATOM 139 CG1 ILE A 11 24.876 11.924 -17.840 1.00 25.00 C ATOM 140 CG2 ILE A 11 24.430 13.685 -19.515 1.00 25.00 C ATOM 141 CD1 ILE A 11 23.843 10.855 -18.267 1.00 25.00 C ATOM 0 H ILE A 11 24.148 13.659 -15.747 1.00 25.00 H new ATOM 0 HA ILE A 11 26.379 14.247 -17.548 1.00 25.00 H new ATOM 0 HB ILE A 11 23.407 13.510 -17.724 1.00 25.00 H new ATOM 0 HG12 ILE A 11 25.806 11.748 -18.380 1.00 25.00 H new ATOM 0 HG13 ILE A 11 25.094 11.797 -16.780 1.00 25.00 H new ATOM 0 HG21 ILE A 11 23.792 12.971 -20.037 1.00 25.00 H new ATOM 0 HG22 ILE A 11 24.052 14.695 -19.676 1.00 25.00 H new ATOM 0 HG23 ILE A 11 25.447 13.612 -19.901 1.00 25.00 H new ATOM 0 HD11 ILE A 11 24.241 9.862 -18.060 1.00 25.00 H new ATOM 0 HD12 ILE A 11 22.918 10.999 -17.709 1.00 25.00 H new ATOM 0 HD13 ILE A 11 23.641 10.950 -19.334 1.00 25.00 H new ATOM 153 N THR A 12 24.569 16.525 -16.534 1.00 25.00 N ATOM 154 CA THR A 12 24.139 17.918 -16.603 1.00 25.00 C ATOM 155 C THR A 12 24.862 18.767 -15.573 1.00 25.00 C ATOM 156 O THR A 12 24.945 18.395 -14.403 1.00 25.00 O ATOM 157 CB THR A 12 22.624 18.028 -16.326 1.00 25.00 C ATOM 158 OG1 THR A 12 22.328 17.386 -15.083 1.00 25.00 O ATOM 159 CG2 THR A 12 21.812 17.341 -17.417 1.00 25.00 C ATOM 0 H THR A 12 24.471 16.112 -15.607 1.00 25.00 H new ATOM 0 HA THR A 12 24.372 18.277 -17.606 1.00 25.00 H new ATOM 0 HB THR A 12 22.361 19.085 -16.297 1.00 25.00 H new ATOM 0 HG1 THR A 12 23.120 17.408 -14.507 1.00 25.00 H new ATOM 0 HG21 THR A 12 20.749 17.436 -17.194 1.00 25.00 H new ATOM 0 HG22 THR A 12 22.024 17.810 -18.378 1.00 25.00 H new ATOM 0 HG23 THR A 12 22.081 16.286 -17.461 1.00 25.00 H new ATOM 167 N SER A 13 25.346 19.924 -16.001 1.00 25.00 N ATOM 168 CA SER A 13 25.989 20.872 -15.100 1.00 25.00 C ATOM 169 C SER A 13 24.917 21.590 -14.285 1.00 25.00 C ATOM 170 O SER A 13 23.721 21.484 -14.576 1.00 25.00 O ATOM 171 CB SER A 13 26.799 21.889 -15.906 1.00 25.00 C ATOM 172 OG SER A 13 25.978 22.550 -16.857 1.00 25.00 O ATOM 0 H SER A 13 25.305 20.231 -16.973 1.00 25.00 H new ATOM 0 HA SER A 13 26.663 20.340 -14.429 1.00 25.00 H new ATOM 0 HB2 SER A 13 27.244 22.621 -15.233 1.00 25.00 H new ATOM 0 HB3 SER A 13 27.620 21.384 -16.416 1.00 25.00 H new ATOM 0 HG SER A 13 26.516 23.197 -17.360 1.00 25.00 H new ATOM 178 N SER A 14 25.345 22.335 -13.277 1.00 25.00 N ATOM 179 CA SER A 14 24.439 23.082 -12.411 1.00 25.00 C ATOM 180 C SER A 14 24.772 24.583 -12.432 1.00 25.00 C ATOM 181 O SER A 14 25.353 25.119 -11.480 1.00 25.00 O ATOM 182 CB SER A 14 24.540 22.546 -10.994 1.00 25.00 C ATOM 183 OG SER A 14 24.124 21.194 -10.944 1.00 25.00 O ATOM 0 H SER A 14 26.330 22.440 -13.034 1.00 25.00 H new ATOM 0 HA SER A 14 23.420 22.957 -12.778 1.00 25.00 H new ATOM 0 HB2 SER A 14 25.567 22.630 -10.640 1.00 25.00 H new ATOM 0 HB3 SER A 14 23.923 23.147 -10.327 1.00 25.00 H new ATOM 0 HG SER A 14 24.197 20.863 -10.024 1.00 25.00 H new ATOM 189 N PRO A 15 24.354 25.299 -13.499 1.00 25.00 N ATOM 190 CA PRO A 15 24.642 26.738 -13.646 1.00 25.00 C ATOM 191 C PRO A 15 23.948 27.619 -12.628 1.00 25.00 C ATOM 192 O PRO A 15 24.201 28.813 -12.530 1.00 25.00 O ATOM 193 CB PRO A 15 24.111 27.040 -15.037 1.00 25.00 C ATOM 194 CG PRO A 15 23.030 26.070 -15.247 1.00 25.00 C ATOM 195 CD PRO A 15 23.575 24.809 -14.654 1.00 25.00 C ATOM 0 HA PRO A 15 25.701 26.944 -13.494 1.00 25.00 H new ATOM 0 HB2 PRO A 15 23.742 28.063 -15.106 1.00 25.00 H new ATOM 0 HB3 PRO A 15 24.891 26.931 -15.790 1.00 25.00 H new ATOM 0 HG2 PRO A 15 22.110 26.381 -14.753 1.00 25.00 H new ATOM 0 HG3 PRO A 15 22.799 25.949 -16.305 1.00 25.00 H new ATOM 0 HD2 PRO A 15 22.780 24.130 -14.346 1.00 25.00 H new ATOM 0 HD3 PRO A 15 24.201 24.266 -15.363 1.00 25.00 H new ATOM 203 N GLN A 16 23.092 26.983 -11.854 1.00 25.00 N ATOM 204 CA GLN A 16 22.356 27.597 -10.741 1.00 25.00 C ATOM 205 C GLN A 16 23.259 27.935 -9.533 1.00 25.00 C ATOM 206 O GLN A 16 22.935 27.630 -8.391 1.00 25.00 O ATOM 207 CB GLN A 16 21.247 26.639 -10.285 1.00 25.00 C ATOM 208 CG GLN A 16 20.332 26.154 -11.414 1.00 25.00 C ATOM 209 CD GLN A 16 19.614 27.285 -12.127 1.00 25.00 C ATOM 210 OE1 GLN A 16 19.215 28.263 -11.524 1.00 25.00 O ATOM 211 NE2 GLN A 16 19.446 27.148 -13.416 1.00 25.00 N ATOM 0 H GLN A 16 22.875 25.994 -11.977 1.00 25.00 H new ATOM 0 HA GLN A 16 21.942 28.537 -11.107 1.00 25.00 H new ATOM 0 HB2 GLN A 16 21.705 25.773 -9.806 1.00 25.00 H new ATOM 0 HB3 GLN A 16 20.640 27.137 -9.529 1.00 25.00 H new ATOM 0 HG2 GLN A 16 20.924 25.594 -12.138 1.00 25.00 H new ATOM 0 HG3 GLN A 16 19.594 25.464 -11.004 1.00 25.00 H new ATOM 0 HE21 GLN A 16 19.794 26.314 -13.890 1.00 25.00 H new ATOM 0 HE22 GLN A 16 18.967 27.875 -13.948 1.00 25.00 H new ATOM 220 N GLY A 17 24.403 28.543 -9.804 1.00 25.00 N ATOM 221 CA GLY A 17 25.319 28.977 -8.759 1.00 25.00 C ATOM 222 C GLY A 17 26.260 27.919 -8.220 1.00 25.00 C ATOM 223 O GLY A 17 27.155 28.235 -7.446 1.00 25.00 O ATOM 0 H GLY A 17 24.723 28.749 -10.750 1.00 25.00 H new ATOM 0 HA2 GLY A 17 25.916 29.803 -9.146 1.00 25.00 H new ATOM 0 HA3 GLY A 17 24.732 29.370 -7.929 1.00 25.00 H new ATOM 227 N LEU A 18 26.078 26.665 -8.604 1.00 25.00 N ATOM 228 CA LEU A 18 26.932 25.598 -8.075 1.00 25.00 C ATOM 229 C LEU A 18 28.175 25.456 -8.934 1.00 25.00 C ATOM 230 O LEU A 18 29.276 25.274 -8.434 1.00 25.00 O ATOM 231 CB LEU A 18 26.178 24.273 -8.016 1.00 25.00 C ATOM 232 CG LEU A 18 24.803 24.327 -7.335 1.00 25.00 C ATOM 233 CD1 LEU A 18 24.201 22.924 -7.246 1.00 25.00 C ATOM 234 CD2 LEU A 18 24.869 24.926 -5.914 1.00 25.00 C ATOM 0 H LEU A 18 25.364 26.359 -9.265 1.00 25.00 H new ATOM 0 HA LEU A 18 27.227 25.865 -7.060 1.00 25.00 H new ATOM 0 HB2 LEU A 18 26.046 23.904 -9.033 1.00 25.00 H new ATOM 0 HB3 LEU A 18 26.797 23.546 -7.490 1.00 25.00 H new ATOM 0 HG LEU A 18 24.178 24.975 -7.949 1.00 25.00 H new ATOM 0 HD11 LEU A 18 23.226 22.976 -6.761 1.00 25.00 H new ATOM 0 HD12 LEU A 18 24.086 22.513 -8.249 1.00 25.00 H new ATOM 0 HD13 LEU A 18 24.861 22.281 -6.664 1.00 25.00 H new ATOM 0 HD21 LEU A 18 23.870 24.941 -5.479 1.00 25.00 H new ATOM 0 HD22 LEU A 18 25.527 24.318 -5.293 1.00 25.00 H new ATOM 0 HD23 LEU A 18 25.257 25.943 -5.966 1.00 25.00 H new ATOM 246 N ASP A 19 27.983 25.645 -10.228 1.00 25.00 N ATOM 247 CA ASP A 19 29.080 25.701 -11.192 1.00 25.00 C ATOM 248 C ASP A 19 29.888 26.971 -10.937 1.00 25.00 C ATOM 249 O ASP A 19 31.075 27.060 -11.240 1.00 25.00 O ATOM 250 CB ASP A 19 28.495 25.763 -12.602 1.00 25.00 C ATOM 251 CG ASP A 19 28.494 24.412 -13.299 1.00 25.00 C ATOM 252 OD1 ASP A 19 29.073 24.310 -14.398 1.00 25.00 O ATOM 253 OD2 ASP A 19 27.843 23.474 -12.791 1.00 25.00 O ATOM 0 H ASP A 19 27.060 25.765 -10.646 1.00 25.00 H new ATOM 0 HA ASP A 19 29.717 24.822 -11.091 1.00 25.00 H new ATOM 0 HB2 ASP A 19 27.474 26.141 -12.551 1.00 25.00 H new ATOM 0 HB3 ASP A 19 29.068 26.474 -13.197 1.00 25.00 H new ATOM 258 N ASN A 20 29.221 27.960 -10.358 1.00 25.00 N ATOM 259 CA ASN A 20 29.829 29.242 -10.056 1.00 25.00 C ATOM 260 C ASN A 20 29.704 29.605 -8.578 1.00 25.00 C ATOM 261 O ASN A 20 28.930 30.504 -8.214 1.00 25.00 O ATOM 262 CB ASN A 20 29.139 30.326 -10.877 1.00 25.00 C ATOM 263 CG ASN A 20 29.410 30.211 -12.348 1.00 25.00 C ATOM 264 OD1 ASN A 20 28.634 29.639 -13.086 1.00 25.00 O ATOM 265 ND2 ASN A 20 30.480 30.817 -12.790 1.00 25.00 N ATOM 0 H ASN A 20 28.241 27.892 -10.085 1.00 25.00 H new ATOM 0 HA ASN A 20 30.888 29.170 -10.302 1.00 25.00 H new ATOM 0 HB2 ASN A 20 28.064 30.274 -10.706 1.00 25.00 H new ATOM 0 HB3 ASN A 20 29.470 31.304 -10.528 1.00 25.00 H new ATOM 0 HD21 ASN A 20 30.688 30.821 -13.789 1.00 25.00 H new ATOM 0 HD22 ASN A 20 31.107 31.286 -12.137 1.00 25.00 H new ATOM 272 N PRO A 21 30.524 28.983 -7.714 1.00 25.00 N ATOM 273 CA PRO A 21 30.471 29.318 -6.288 1.00 25.00 C ATOM 274 C PRO A 21 30.798 30.776 -6.014 1.00 25.00 C ATOM 275 O PRO A 21 30.306 31.345 -5.060 1.00 25.00 O ATOM 276 CB PRO A 21 31.541 28.401 -5.679 1.00 25.00 C ATOM 277 CG PRO A 21 32.436 28.091 -6.802 1.00 25.00 C ATOM 278 CD PRO A 21 31.553 27.964 -7.978 1.00 25.00 C ATOM 0 HA PRO A 21 29.474 29.177 -5.872 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.076 28.897 -4.869 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.099 27.496 -5.261 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.174 28.880 -6.947 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.988 27.168 -6.623 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.086 28.157 -8.909 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.124 26.965 -8.058 1.00 25.00 H new ATOM 286 N ALA A 22 31.600 31.393 -6.871 1.00 25.00 N ATOM 287 CA ALA A 22 31.957 32.797 -6.701 1.00 25.00 C ATOM 288 C ALA A 22 30.723 33.701 -6.784 1.00 25.00 C ATOM 289 O ALA A 22 30.608 34.663 -6.027 1.00 25.00 O ATOM 290 CB ALA A 22 32.988 33.197 -7.761 1.00 25.00 C ATOM 0 H ALA A 22 32.015 30.946 -7.689 1.00 25.00 H new ATOM 0 HA ALA A 22 32.391 32.925 -5.709 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.254 34.246 -7.633 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.880 32.581 -7.651 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.565 33.049 -8.754 1.00 25.00 H new ATOM 296 N LEU A 23 29.810 33.380 -7.694 1.00 25.00 N ATOM 297 CA LEU A 23 28.601 34.182 -7.883 1.00 25.00 C ATOM 298 C LEU A 23 27.603 33.891 -6.776 1.00 25.00 C ATOM 299 O LEU A 23 26.945 34.789 -6.277 1.00 25.00 O ATOM 300 CB LEU A 23 27.941 33.878 -9.236 1.00 25.00 C ATOM 301 CG LEU A 23 28.781 34.081 -10.511 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.924 33.736 -11.733 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.319 35.492 -10.656 1.00 25.00 C ATOM 0 H LEU A 23 29.881 32.572 -8.313 1.00 25.00 H new ATOM 0 HA LEU A 23 28.893 35.232 -7.857 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.605 32.841 -9.219 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.050 34.500 -9.320 1.00 25.00 H new ATOM 0 HG LEU A 23 29.645 33.421 -10.436 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.511 33.877 -12.641 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.600 32.697 -11.668 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.051 34.388 -11.761 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.901 35.567 -11.574 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.488 36.196 -10.695 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.955 35.728 -9.803 1.00 25.00 H new ATOM 315 N LEU A 24 27.494 32.631 -6.383 1.00 25.00 N ATOM 316 CA LEU A 24 26.559 32.259 -5.325 1.00 25.00 C ATOM 317 C LEU A 24 26.995 32.859 -3.990 1.00 25.00 C ATOM 318 O LEU A 24 26.179 33.375 -3.247 1.00 25.00 O ATOM 319 CB LEU A 24 26.448 30.737 -5.228 1.00 25.00 C ATOM 320 CG LEU A 24 25.446 30.182 -4.200 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.074 30.857 -4.270 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.284 28.689 -4.424 1.00 25.00 C ATOM 0 H LEU A 24 28.032 31.857 -6.772 1.00 25.00 H new ATOM 0 HA LEU A 24 25.576 32.660 -5.570 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.176 30.352 -6.211 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.434 30.338 -4.992 1.00 25.00 H new ATOM 0 HG LEU A 24 25.851 30.391 -3.210 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.415 30.420 -3.520 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.184 31.925 -4.079 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.645 30.708 -5.261 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.575 28.287 -3.700 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.912 28.511 -5.433 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.248 28.196 -4.300 1.00 25.00 H new ATOM 334 N ARG A 25 28.296 32.852 -3.732 1.00 25.00 N ATOM 335 CA ARG A 25 28.871 33.493 -2.547 1.00 25.00 C ATOM 336 C ARG A 25 28.477 34.963 -2.530 1.00 25.00 C ATOM 337 O ARG A 25 28.050 35.483 -1.513 1.00 25.00 O ATOM 338 CB ARG A 25 30.403 33.320 -2.609 1.00 25.00 C ATOM 339 CG ARG A 25 31.225 33.948 -1.484 1.00 25.00 C ATOM 340 CD ARG A 25 31.614 35.399 -1.766 1.00 25.00 C ATOM 341 NE ARG A 25 32.381 35.571 -3.012 1.00 25.00 N ATOM 342 CZ ARG A 25 33.697 35.719 -3.096 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.486 35.705 -2.049 1.00 25.00 N ATOM 344 NH2 ARG A 25 34.232 35.888 -4.273 1.00 25.00 N ATOM 0 H ARG A 25 28.986 32.403 -4.335 1.00 25.00 H new ATOM 0 HA ARG A 25 28.497 33.038 -1.630 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.621 32.252 -2.631 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.752 33.736 -3.554 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.654 33.905 -0.557 1.00 25.00 H new ATOM 0 HG3 ARG A 25 32.129 33.359 -1.330 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.710 36.005 -1.819 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.203 35.778 -0.931 1.00 25.00 H new ATOM 0 HE ARG A 25 31.855 35.577 -3.886 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.094 35.576 -1.116 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.492 35.823 -2.167 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.641 35.904 -5.104 1.00 25.00 H new ATOM 0 HH22 ARG A 25 35.241 36.004 -4.362 1.00 25.00 H new ATOM 358 N ASP A 26 28.612 35.622 -3.667 1.00 25.00 N ATOM 359 CA ASP A 26 28.277 37.042 -3.772 1.00 25.00 C ATOM 360 C ASP A 26 26.782 37.294 -3.538 1.00 25.00 C ATOM 361 O ASP A 26 26.406 38.152 -2.743 1.00 25.00 O ATOM 362 CB ASP A 26 28.682 37.561 -5.151 1.00 25.00 C ATOM 363 CG ASP A 26 28.669 39.068 -5.226 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.648 39.684 -4.755 1.00 25.00 O ATOM 365 OD2 ASP A 26 27.714 39.635 -5.791 1.00 25.00 O ATOM 0 H ASP A 26 28.950 35.203 -4.533 1.00 25.00 H new ATOM 0 HA ASP A 26 28.826 37.576 -2.997 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.680 37.197 -5.394 1.00 25.00 H new ATOM 0 HB3 ASP A 26 28.003 37.157 -5.902 1.00 25.00 H new ATOM 370 N MET A 27 25.935 36.499 -4.180 1.00 25.00 N ATOM 371 CA MET A 27 24.481 36.633 -4.027 1.00 25.00 C ATOM 372 C MET A 27 24.046 36.394 -2.595 1.00 25.00 C ATOM 373 O MET A 27 23.187 37.091 -2.080 1.00 25.00 O ATOM 374 CB MET A 27 23.759 35.632 -4.927 1.00 25.00 C ATOM 375 CG MET A 27 22.256 35.857 -4.984 1.00 25.00 C ATOM 376 SD MET A 27 21.414 34.675 -6.057 1.00 25.00 S ATOM 377 CE MET A 27 21.209 33.263 -4.941 1.00 25.00 C ATOM 0 H MET A 27 26.224 35.753 -4.813 1.00 25.00 H new ATOM 0 HA MET A 27 24.221 37.653 -4.311 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.169 35.697 -5.935 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.956 34.622 -4.568 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.844 35.785 -3.978 1.00 25.00 H new ATOM 0 HG3 MET A 27 22.058 36.868 -5.338 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.867 32.397 -5.508 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.163 33.032 -4.467 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.473 33.508 -4.175 1.00 25.00 H new ATOM 387 N LEU A 28 24.634 35.399 -1.956 1.00 25.00 N ATOM 388 CA LEU A 28 24.287 35.064 -0.582 1.00 25.00 C ATOM 389 C LEU A 28 24.651 36.192 0.362 1.00 25.00 C ATOM 390 O LEU A 28 23.876 36.543 1.233 1.00 25.00 O ATOM 391 CB LEU A 28 25.006 33.803 -0.158 1.00 25.00 C ATOM 392 CG LEU A 28 24.253 32.537 -0.556 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.206 31.391 -0.538 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.093 32.281 0.394 1.00 25.00 C ATOM 0 H LEU A 28 25.356 34.806 -2.365 1.00 25.00 H new ATOM 0 HA LEU A 28 23.210 34.905 -0.537 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.999 33.787 -0.607 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.145 33.814 0.923 1.00 25.00 H new ATOM 0 HG LEU A 28 23.840 32.657 -1.558 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.682 30.478 -0.821 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.015 31.579 -1.244 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.619 31.277 0.464 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.569 31.374 0.093 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.473 32.160 1.408 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.404 33.125 0.363 1.00 25.00 H new ATOM 406 N LEU A 29 25.821 36.781 0.167 1.00 25.00 N ATOM 407 CA LEU A 29 26.253 37.899 1.013 1.00 25.00 C ATOM 408 C LEU A 29 25.319 39.086 0.829 1.00 25.00 C ATOM 409 O LEU A 29 25.006 39.801 1.778 1.00 25.00 O ATOM 410 CB LEU A 29 27.679 38.322 0.654 1.00 25.00 C ATOM 411 CG LEU A 29 28.790 37.369 1.109 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.063 37.697 0.354 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.038 37.459 2.613 1.00 25.00 C ATOM 0 H LEU A 29 26.486 36.513 -0.558 1.00 25.00 H new ATOM 0 HA LEU A 29 26.227 37.571 2.052 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.743 38.435 -0.428 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.867 39.304 1.089 1.00 25.00 H new ATOM 0 HG LEU A 29 28.474 36.348 0.893 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.859 37.023 0.672 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.892 37.578 -0.716 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.355 38.726 0.562 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.833 36.767 2.893 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.333 38.476 2.873 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.125 37.198 3.149 1.00 25.00 H new ATOM 425 N ALA A 30 24.862 39.273 -0.397 1.00 25.00 N ATOM 426 CA ALA A 30 23.953 40.360 -0.730 1.00 25.00 C ATOM 427 C ALA A 30 22.507 40.077 -0.292 1.00 25.00 C ATOM 428 O ALA A 30 21.661 40.972 -0.339 1.00 25.00 O ATOM 429 CB ALA A 30 24.002 40.616 -2.244 1.00 25.00 C ATOM 0 H ALA A 30 25.109 38.679 -1.188 1.00 25.00 H new ATOM 0 HA ALA A 30 24.282 41.244 -0.184 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.322 41.430 -2.498 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.017 40.887 -2.535 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.701 39.713 -2.776 1.00 25.00 H new ATOM 435 N ASN A 31 22.203 38.842 0.091 1.00 25.00 N ATOM 436 CA ASN A 31 20.830 38.461 0.407 1.00 25.00 C ATOM 437 C ASN A 31 20.652 38.051 1.872 1.00 25.00 C ATOM 438 O ASN A 31 20.970 36.924 2.255 1.00 25.00 O ATOM 439 CB ASN A 31 20.413 37.311 -0.494 1.00 25.00 C ATOM 440 CG ASN A 31 18.929 37.125 -0.532 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.249 37.152 0.493 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.406 36.960 -1.713 1.00 25.00 N ATOM 0 H ASN A 31 22.885 38.090 0.190 1.00 25.00 H new ATOM 0 HA ASN A 31 20.201 39.335 0.239 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.780 37.493 -1.504 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.883 36.391 -0.146 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.397 36.847 -1.813 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.005 36.944 -2.538 1.00 25.00 H new ATOM 449 N PRO A 32 20.100 38.946 2.708 1.00 25.00 N ATOM 450 CA PRO A 32 20.001 38.590 4.128 1.00 25.00 C ATOM 451 C PRO A 32 19.063 37.424 4.456 1.00 25.00 C ATOM 452 O PRO A 32 19.261 36.740 5.454 1.00 25.00 O ATOM 453 CB PRO A 32 19.516 39.895 4.770 1.00 25.00 C ATOM 454 CG PRO A 32 18.777 40.585 3.677 1.00 25.00 C ATOM 455 CD PRO A 32 19.592 40.307 2.458 1.00 25.00 C ATOM 0 HA PRO A 32 20.957 38.221 4.500 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.871 39.702 5.627 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.351 40.497 5.129 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.763 40.199 3.575 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.693 41.655 3.866 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.991 40.354 1.550 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.403 41.026 2.341 1.00 25.00 H new ATOM 463 N HIS A 33 18.053 37.178 3.633 1.00 25.00 N ATOM 464 CA HIS A 33 17.138 36.061 3.878 1.00 25.00 C ATOM 465 C HIS A 33 17.789 34.734 3.500 1.00 25.00 C ATOM 466 O HIS A 33 17.664 33.732 4.198 1.00 25.00 O ATOM 467 CB HIS A 33 15.860 36.243 3.059 1.00 25.00 C ATOM 468 CG HIS A 33 14.833 35.182 3.311 1.00 25.00 C ATOM 469 ND1 HIS A 33 14.038 35.120 4.429 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.471 34.102 2.561 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.252 34.052 4.322 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.468 33.400 3.199 1.00 25.00 N ATOM 0 H HIS A 33 17.844 37.726 2.799 1.00 25.00 H new ATOM 0 HA HIS A 33 16.897 36.048 4.941 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.428 37.217 3.287 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.114 36.247 1.999 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.905 33.835 1.609 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.526 33.756 5.065 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.996 32.557 2.871 1.00 25.00 H new ATOM 480 N GLU A 34 18.481 34.743 2.375 1.00 25.00 N ATOM 481 CA GLU A 34 19.082 33.533 1.821 1.00 25.00 C ATOM 482 C GLU A 34 20.266 33.119 2.681 1.00 25.00 C ATOM 483 O GLU A 34 20.477 31.950 2.958 1.00 25.00 O ATOM 484 CB GLU A 34 19.528 33.824 0.390 1.00 25.00 C ATOM 485 CG GLU A 34 18.449 33.627 -0.663 1.00 25.00 C ATOM 486 CD GLU A 34 17.979 32.186 -0.760 1.00 25.00 C ATOM 487 OE1 GLU A 34 16.753 31.974 -0.838 1.00 25.00 O ATOM 488 OE2 GLU A 34 18.830 31.270 -0.768 1.00 25.00 O ATOM 0 H GLU A 34 18.644 35.582 1.819 1.00 25.00 H new ATOM 0 HA GLU A 34 18.361 32.716 1.813 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.885 34.852 0.337 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.374 33.180 0.149 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.598 34.267 -0.429 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.831 33.946 -1.633 1.00 25.00 H new ATOM 495 N LEU A 35 21.007 34.095 3.174 1.00 25.00 N ATOM 496 CA LEU A 35 22.121 33.807 4.064 1.00 25.00 C ATOM 497 C LEU A 35 21.607 33.281 5.406 1.00 25.00 C ATOM 498 O LEU A 35 22.278 32.501 6.080 1.00 25.00 O ATOM 499 CB LEU A 35 23.005 35.036 4.179 1.00 25.00 C ATOM 500 CG LEU A 35 22.760 36.183 5.160 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.977 35.854 6.628 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.727 37.257 4.726 1.00 25.00 C ATOM 0 H LEU A 35 20.861 35.085 2.977 1.00 25.00 H new ATOM 0 HA LEU A 35 22.744 33.011 3.655 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.010 34.668 4.387 1.00 25.00 H new ATOM 0 HB3 LEU A 35 23.029 35.486 3.186 1.00 25.00 H new ATOM 0 HG LEU A 35 21.708 36.467 5.119 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.775 36.738 7.233 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.303 35.050 6.924 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.009 35.537 6.781 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.623 38.125 5.377 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.746 36.876 4.790 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.512 37.547 3.698 1.00 25.00 H new ATOM 514 N SER A 36 20.407 33.703 5.783 1.00 25.00 N ATOM 515 CA SER A 36 19.788 33.289 7.042 1.00 25.00 C ATOM 516 C SER A 36 19.297 31.853 6.967 1.00 25.00 C ATOM 517 O SER A 36 19.546 31.073 7.871 1.00 25.00 O ATOM 518 CB SER A 36 18.622 34.206 7.414 1.00 25.00 C ATOM 519 OG SER A 36 18.141 33.902 8.712 1.00 25.00 O ATOM 0 H SER A 36 19.834 34.340 5.229 1.00 25.00 H new ATOM 0 HA SER A 36 20.554 33.361 7.814 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.944 35.247 7.374 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.818 34.093 6.687 1.00 25.00 H new ATOM 0 HG SER A 36 17.396 34.500 8.933 1.00 25.00 H new ATOM 525 N LEU A 37 18.645 31.476 5.876 1.00 25.00 N ATOM 526 CA LEU A 37 18.182 30.095 5.727 1.00 25.00 C ATOM 527 C LEU A 37 19.363 29.191 5.646 1.00 25.00 C ATOM 528 O LEU A 37 19.332 28.050 6.056 1.00 25.00 O ATOM 529 CB LEU A 37 17.284 29.943 4.513 1.00 25.00 C ATOM 530 CG LEU A 37 17.735 29.981 3.047 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.369 28.687 2.585 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.512 30.276 2.184 1.00 25.00 C ATOM 0 H LEU A 37 18.426 32.090 5.092 1.00 25.00 H new ATOM 0 HA LEU A 37 17.584 29.822 6.597 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.777 28.987 4.640 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.526 30.721 4.608 1.00 25.00 H new ATOM 0 HG LEU A 37 18.497 30.754 2.952 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.666 28.780 1.540 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.248 28.474 3.194 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.651 27.873 2.687 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.806 30.308 1.135 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.768 29.493 2.328 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.087 31.238 2.472 1.00 25.00 H new ATOM 544 N LEU A 38 20.425 29.717 5.089 1.00 25.00 N ATOM 545 CA LEU A 38 21.630 28.958 4.946 1.00 25.00 C ATOM 546 C LEU A 38 22.267 28.635 6.290 1.00 25.00 C ATOM 547 O LEU A 38 22.613 27.499 6.539 1.00 25.00 O ATOM 548 CB LEU A 38 22.561 29.741 4.059 1.00 25.00 C ATOM 549 CG LEU A 38 23.813 28.972 3.627 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.440 27.826 2.718 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.806 29.882 2.936 1.00 25.00 C ATOM 0 H LEU A 38 20.474 30.670 4.728 1.00 25.00 H new ATOM 0 HA LEU A 38 21.405 27.993 4.492 1.00 25.00 H new ATOM 0 HB2 LEU A 38 22.017 30.056 3.169 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.867 30.647 4.583 1.00 25.00 H new ATOM 0 HG LEU A 38 24.286 28.574 4.525 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.341 27.290 2.420 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.771 27.146 3.245 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.938 28.213 1.831 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.683 29.306 2.642 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.344 30.318 2.050 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.106 30.678 3.618 1.00 25.00 H new ATOM 563 N LYS A 39 22.373 29.608 7.181 1.00 25.00 N ATOM 564 CA LYS A 39 22.894 29.324 8.534 1.00 25.00 C ATOM 565 C LYS A 39 21.919 28.500 9.365 1.00 25.00 C ATOM 566 O LYS A 39 22.336 27.769 10.251 1.00 25.00 O ATOM 567 CB LYS A 39 23.312 30.601 9.282 1.00 25.00 C ATOM 568 CG LYS A 39 22.234 31.681 9.374 1.00 25.00 C ATOM 569 CD LYS A 39 22.487 32.690 10.479 1.00 25.00 C ATOM 570 CE LYS A 39 23.624 33.638 10.122 1.00 25.00 C ATOM 571 NZ LYS A 39 23.791 34.678 11.191 1.00 25.00 N ATOM 0 H LYS A 39 22.116 30.581 7.012 1.00 25.00 H new ATOM 0 HA LYS A 39 23.792 28.724 8.389 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.618 30.328 10.292 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.186 31.024 8.787 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.172 32.205 8.420 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.267 31.206 9.540 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.579 33.263 10.664 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.727 32.165 11.404 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.551 33.077 10.003 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.418 34.119 9.166 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.570 35.318 10.934 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.911 35.224 11.285 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.008 34.214 12.096 1.00 25.00 H new ATOM 585 N GLU A 40 20.639 28.599 9.058 1.00 25.00 N ATOM 586 CA GLU A 40 19.610 27.825 9.747 1.00 25.00 C ATOM 587 C GLU A 40 19.653 26.354 9.311 1.00 25.00 C ATOM 588 O GLU A 40 19.668 25.446 10.137 1.00 25.00 O ATOM 589 CB GLU A 40 18.248 28.431 9.377 1.00 25.00 C ATOM 590 CG GLU A 40 17.017 27.737 9.940 1.00 25.00 C ATOM 591 CD GLU A 40 15.796 27.979 9.054 1.00 25.00 C ATOM 592 OE1 GLU A 40 14.980 27.046 8.901 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.726 29.038 8.397 1.00 25.00 O ATOM 0 H GLU A 40 20.279 29.214 8.328 1.00 25.00 H new ATOM 0 HA GLU A 40 19.776 27.862 10.824 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.236 29.469 9.709 1.00 25.00 H new ATOM 0 HB3 GLU A 40 18.165 28.443 8.290 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.205 26.666 10.022 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.818 28.103 10.947 1.00 25.00 H new ATOM 600 N ARG A 41 19.628 26.130 8.004 1.00 25.00 N ATOM 601 CA ARG A 41 19.465 24.777 7.446 1.00 25.00 C ATOM 602 C ARG A 41 20.745 24.083 7.017 1.00 25.00 C ATOM 603 O ARG A 41 20.807 22.860 6.950 1.00 25.00 O ATOM 604 CB ARG A 41 18.506 24.873 6.259 1.00 25.00 C ATOM 605 CG ARG A 41 17.196 25.511 6.690 1.00 25.00 C ATOM 606 CD ARG A 41 16.136 25.617 5.618 1.00 25.00 C ATOM 607 NE ARG A 41 15.003 26.348 6.202 1.00 25.00 N ATOM 608 CZ ARG A 41 13.905 26.741 5.577 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.690 26.503 4.306 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.011 27.391 6.264 1.00 25.00 N ATOM 0 H ARG A 41 19.718 26.864 7.302 1.00 25.00 H new ATOM 0 HA ARG A 41 19.077 24.155 8.253 1.00 25.00 H new ATOM 0 HB2 ARG A 41 18.960 25.462 5.462 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.318 23.879 5.853 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.789 24.936 7.522 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.407 26.512 7.067 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.523 26.141 4.744 1.00 25.00 H new ATOM 0 HD3 ARG A 41 15.825 24.627 5.284 1.00 25.00 H new ATOM 0 HE ARG A 41 15.070 26.577 7.194 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.384 25.996 3.758 1.00 25.00 H new ATOM 0 HH12 ARG A 41 12.828 26.825 3.865 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.168 27.583 7.253 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.153 27.709 5.813 1.00 25.00 H new ATOM 624 N ASN A 42 21.763 24.867 6.716 1.00 25.00 N ATOM 625 CA ASN A 42 23.071 24.332 6.297 1.00 25.00 C ATOM 626 C ASN A 42 24.267 25.009 6.984 1.00 25.00 C ATOM 627 O ASN A 42 25.085 25.662 6.317 1.00 25.00 O ATOM 628 CB ASN A 42 23.237 24.495 4.785 1.00 25.00 C ATOM 629 CG ASN A 42 24.287 23.579 4.220 1.00 25.00 C ATOM 630 OD1 ASN A 42 24.923 22.824 4.932 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.468 23.631 2.935 1.00 25.00 N ATOM 0 H ASN A 42 21.721 25.886 6.750 1.00 25.00 H new ATOM 0 HA ASN A 42 23.072 23.283 6.593 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.284 24.297 4.294 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.502 25.528 4.561 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.161 23.027 2.493 1.00 25.00 H new ATOM 0 HD22 ASN A 42 23.917 24.276 2.368 1.00 25.00 H new ATOM 638 N PRO A 43 24.415 24.844 8.312 1.00 25.00 N ATOM 639 CA PRO A 43 25.547 25.540 8.942 1.00 25.00 C ATOM 640 C PRO A 43 26.975 25.305 8.382 1.00 25.00 C ATOM 641 O PRO A 43 27.753 26.260 8.352 1.00 25.00 O ATOM 642 CB PRO A 43 25.434 25.132 10.419 1.00 25.00 C ATOM 643 CG PRO A 43 24.583 23.907 10.430 1.00 25.00 C ATOM 644 CD PRO A 43 23.615 24.101 9.305 1.00 25.00 C ATOM 0 HA PRO A 43 25.455 26.606 8.736 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.416 24.931 10.847 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.984 25.928 11.013 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.182 23.008 10.285 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.065 23.794 11.382 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.259 23.150 8.908 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.736 24.664 9.620 1.00 25.00 H new ATOM 652 N PRO A 44 27.333 24.088 7.886 1.00 25.00 N ATOM 653 CA PRO A 44 28.712 24.067 7.364 1.00 25.00 C ATOM 654 C PRO A 44 28.950 24.910 6.099 1.00 25.00 C ATOM 655 O PRO A 44 30.024 25.480 5.927 1.00 25.00 O ATOM 656 CB PRO A 44 28.944 22.579 7.075 1.00 25.00 C ATOM 657 CG PRO A 44 27.616 22.053 6.776 1.00 25.00 C ATOM 658 CD PRO A 44 26.713 22.752 7.755 1.00 25.00 C ATOM 0 HA PRO A 44 29.400 24.513 8.082 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.625 22.439 6.235 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.388 22.073 7.932 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.327 22.264 5.747 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.579 20.971 6.902 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.690 22.817 7.385 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.674 22.230 8.711 1.00 25.00 H new ATOM 666 N LEU A 45 27.969 25.008 5.205 1.00 25.00 N ATOM 667 CA LEU A 45 28.142 25.860 4.026 1.00 25.00 C ATOM 668 C LEU A 45 27.997 27.305 4.461 1.00 25.00 C ATOM 669 O LEU A 45 28.644 28.203 3.928 1.00 25.00 O ATOM 670 CB LEU A 45 27.139 25.525 2.923 1.00 25.00 C ATOM 671 CG LEU A 45 27.322 26.289 1.592 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.738 26.149 1.003 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.304 25.772 0.576 1.00 25.00 C ATOM 0 H LEU A 45 27.072 24.526 5.267 1.00 25.00 H new ATOM 0 HA LEU A 45 29.132 25.687 3.605 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.197 24.456 2.717 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.135 25.723 3.299 1.00 25.00 H new ATOM 0 HG LEU A 45 27.167 27.347 1.805 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.801 26.708 0.070 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.467 26.542 1.711 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.950 25.097 0.811 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.427 26.306 -0.366 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.463 24.706 0.412 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.296 25.934 0.957 1.00 25.00 H new ATOM 685 N ALA A 46 27.154 27.530 5.454 1.00 25.00 N ATOM 686 CA ALA A 46 26.957 28.873 5.955 1.00 25.00 C ATOM 687 C ALA A 46 28.222 29.476 6.540 1.00 25.00 C ATOM 688 O ALA A 46 28.569 30.571 6.168 1.00 25.00 O ATOM 689 CB ALA A 46 25.885 28.884 6.978 1.00 25.00 C ATOM 0 H ALA A 46 26.604 26.810 5.922 1.00 25.00 H new ATOM 0 HA ALA A 46 26.669 29.486 5.101 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.745 29.900 7.348 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.955 28.528 6.534 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.165 28.232 7.805 1.00 25.00 H new ATOM 695 N GLU A 47 28.919 28.778 7.430 1.00 25.00 N ATOM 696 CA GLU A 47 30.119 29.351 8.070 1.00 25.00 C ATOM 697 C GLU A 47 31.167 29.722 7.019 1.00 25.00 C ATOM 698 O GLU A 47 31.890 30.718 7.151 1.00 25.00 O ATOM 699 CB GLU A 47 30.721 28.396 9.117 1.00 25.00 C ATOM 700 CG GLU A 47 31.248 27.075 8.563 1.00 25.00 C ATOM 701 CD GLU A 47 32.082 26.320 9.573 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.330 26.454 9.516 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.512 25.593 10.410 1.00 25.00 O ATOM 0 H GLU A 47 28.687 27.830 7.727 1.00 25.00 H new ATOM 0 HA GLU A 47 29.808 30.257 8.591 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.536 28.909 9.627 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.961 28.180 9.868 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.408 26.454 8.252 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.847 27.270 7.674 1.00 25.00 H new ATOM 710 N ALA A 48 31.192 28.951 5.946 1.00 25.00 N ATOM 711 CA ALA A 48 32.047 29.201 4.825 1.00 25.00 C ATOM 712 C ALA A 48 31.707 30.533 4.167 1.00 25.00 C ATOM 713 O ALA A 48 32.588 31.337 3.869 1.00 25.00 O ATOM 714 CB ALA A 48 31.909 28.038 3.835 1.00 25.00 C ATOM 0 H ALA A 48 30.605 28.124 5.839 1.00 25.00 H new ATOM 0 HA ALA A 48 33.082 29.268 5.160 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.555 28.214 2.975 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.200 27.108 4.323 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.874 27.964 3.502 1.00 25.00 H new ATOM 720 N LEU A 49 30.419 30.772 3.991 1.00 25.00 N ATOM 721 CA LEU A 49 29.933 32.005 3.402 1.00 25.00 C ATOM 722 C LEU A 49 30.199 33.184 4.323 1.00 25.00 C ATOM 723 O LEU A 49 30.606 34.250 3.873 1.00 25.00 O ATOM 724 CB LEU A 49 28.423 31.868 3.149 1.00 25.00 C ATOM 725 CG LEU A 49 27.679 32.951 2.354 1.00 25.00 C ATOM 726 CD1 LEU A 49 27.256 34.131 3.188 1.00 25.00 C ATOM 727 CD2 LEU A 49 28.487 33.426 1.168 1.00 25.00 C ATOM 0 H LEU A 49 29.682 30.117 4.252 1.00 25.00 H new ATOM 0 HA LEU A 49 30.456 32.186 2.463 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.265 30.921 2.634 1.00 25.00 H new ATOM 0 HB3 LEU A 49 27.937 31.787 4.121 1.00 25.00 H new ATOM 0 HG LEU A 49 26.769 32.467 2.000 1.00 25.00 H new ATOM 0 HD11 LEU A 49 26.737 34.854 2.559 1.00 25.00 H new ATOM 0 HD12 LEU A 49 26.588 33.795 3.981 1.00 25.00 H new ATOM 0 HD13 LEU A 49 28.136 34.599 3.629 1.00 25.00 H new ATOM 0 HD21 LEU A 49 27.928 34.192 0.630 1.00 25.00 H new ATOM 0 HD22 LEU A 49 29.432 33.843 1.515 1.00 25.00 H new ATOM 0 HD23 LEU A 49 28.684 32.586 0.502 1.00 25.00 H new ATOM 739 N LEU A 50 29.957 32.995 5.615 1.00 25.00 N ATOM 740 CA LEU A 50 30.047 34.095 6.576 1.00 25.00 C ATOM 741 C LEU A 50 31.465 34.641 6.646 1.00 25.00 C ATOM 742 O LEU A 50 31.683 35.809 6.938 1.00 25.00 O ATOM 743 CB LEU A 50 29.657 33.652 8.001 1.00 25.00 C ATOM 744 CG LEU A 50 28.340 32.907 8.264 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.064 32.850 9.746 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.149 33.475 7.500 1.00 25.00 C ATOM 0 H LEU A 50 29.698 32.097 6.023 1.00 25.00 H new ATOM 0 HA LEU A 50 29.353 34.859 6.224 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.462 33.017 8.370 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.647 34.547 8.622 1.00 25.00 H new ATOM 0 HG LEU A 50 28.472 31.895 7.881 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.128 32.320 9.922 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.878 32.326 10.248 1.00 25.00 H new ATOM 0 HD13 LEU A 50 27.987 33.863 10.141 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.256 32.897 7.737 1.00 25.00 H new ATOM 0 HD22 LEU A 50 26.995 34.515 7.787 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.344 33.419 6.429 1.00 25.00 H new ATOM 758 N SER A 51 32.429 33.764 6.407 1.00 25.00 N ATOM 759 CA SER A 51 33.832 34.120 6.468 1.00 25.00 C ATOM 760 C SER A 51 34.265 34.980 5.281 1.00 25.00 C ATOM 761 O SER A 51 35.284 35.657 5.339 1.00 25.00 O ATOM 762 CB SER A 51 34.646 32.850 6.455 1.00 25.00 C ATOM 763 OG SER A 51 34.309 32.002 7.545 1.00 25.00 O ATOM 0 H SER A 51 32.257 32.788 6.166 1.00 25.00 H new ATOM 0 HA SER A 51 33.992 34.698 7.378 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.481 32.321 5.517 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.707 33.096 6.499 1.00 25.00 H new ATOM 0 HG SER A 51 33.456 31.556 7.361 1.00 25.00 H new ATOM 769 N GLY A 52 33.523 34.893 4.185 1.00 25.00 N ATOM 770 CA GLY A 52 33.843 35.644 2.979 1.00 25.00 C ATOM 771 C GLY A 52 34.810 34.908 2.070 1.00 25.00 C ATOM 772 O GLY A 52 34.865 35.165 0.863 1.00 25.00 O ATOM 0 H GLY A 52 32.692 34.307 4.107 1.00 25.00 H new ATOM 0 HA2 GLY A 52 32.924 35.853 2.432 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.274 36.606 3.258 1.00 25.00 H new ATOM 776 N ASP A 53 35.556 33.977 2.648 1.00 25.00 N ATOM 777 CA ASP A 53 36.533 33.173 1.915 1.00 25.00 C ATOM 778 C ASP A 53 35.883 32.355 0.808 1.00 25.00 C ATOM 779 O ASP A 53 35.082 31.457 1.074 1.00 25.00 O ATOM 780 CB ASP A 53 37.224 32.185 2.841 1.00 25.00 C ATOM 781 CG ASP A 53 38.327 31.436 2.145 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.794 31.899 1.085 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.661 30.331 2.604 1.00 25.00 O ATOM 0 H ASP A 53 35.503 33.755 3.642 1.00 25.00 H new ATOM 0 HA ASP A 53 37.244 33.881 1.490 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.633 32.718 3.699 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.491 31.476 3.226 1.00 25.00 H new ATOM 788 N LEU A 54 36.259 32.624 -0.431 1.00 25.00 N ATOM 789 CA LEU A 54 35.742 31.845 -1.541 1.00 25.00 C ATOM 790 C LEU A 54 36.267 30.424 -1.464 1.00 25.00 C ATOM 791 O LEU A 54 35.553 29.493 -1.774 1.00 25.00 O ATOM 792 CB LEU A 54 36.144 32.462 -2.883 1.00 25.00 C ATOM 793 CG LEU A 54 35.542 31.842 -4.165 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.392 30.701 -4.734 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.082 31.385 -3.996 1.00 25.00 C ATOM 0 H LEU A 54 36.911 33.365 -0.691 1.00 25.00 H new ATOM 0 HA LEU A 54 34.654 31.842 -1.472 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.874 33.518 -2.862 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.230 32.412 -2.964 1.00 25.00 H new ATOM 0 HG LEU A 54 35.548 32.658 -4.888 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.917 30.307 -5.633 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.385 31.076 -4.982 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.479 29.907 -3.992 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.723 30.960 -4.933 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.025 30.631 -3.211 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.462 32.240 -3.724 1.00 25.00 H new ATOM 807 N GLU A 55 37.513 30.251 -1.064 1.00 25.00 N ATOM 808 CA GLU A 55 38.118 28.921 -1.064 1.00 25.00 C ATOM 809 C GLU A 55 37.331 27.982 -0.166 1.00 25.00 C ATOM 810 O GLU A 55 36.885 26.924 -0.605 1.00 25.00 O ATOM 811 CB GLU A 55 39.572 28.979 -0.594 1.00 25.00 C ATOM 812 CG GLU A 55 40.461 29.892 -1.416 1.00 25.00 C ATOM 813 CD GLU A 55 40.850 29.281 -2.761 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.038 28.949 -2.942 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.964 29.146 -3.639 1.00 25.00 O ATOM 0 H GLU A 55 38.124 31.000 -0.738 1.00 25.00 H new ATOM 0 HA GLU A 55 38.097 28.545 -2.087 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.592 29.311 0.444 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.988 27.972 -0.615 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.946 30.837 -1.586 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.364 30.119 -0.850 1.00 25.00 H new ATOM 822 N LYS A 56 37.101 28.385 1.076 1.00 25.00 N ATOM 823 CA LYS A 56 36.316 27.556 1.993 1.00 25.00 C ATOM 824 C LYS A 56 34.881 27.435 1.494 1.00 25.00 C ATOM 825 O LYS A 56 34.291 26.373 1.611 1.00 25.00 O ATOM 826 CB LYS A 56 36.401 28.065 3.455 1.00 25.00 C ATOM 827 CG LYS A 56 35.470 29.101 3.866 1.00 25.00 C ATOM 828 CD LYS A 56 35.941 29.718 5.199 1.00 25.00 C ATOM 829 CE LYS A 56 35.460 28.938 6.439 1.00 25.00 C ATOM 830 NZ LYS A 56 35.942 29.547 7.723 1.00 25.00 N ATOM 0 H LYS A 56 37.438 29.263 1.471 1.00 25.00 H new ATOM 0 HA LYS A 56 36.747 26.555 2.006 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.263 27.209 4.116 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.412 28.437 3.622 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.406 29.872 3.099 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.470 28.682 3.980 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.030 29.761 5.206 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.581 30.745 5.263 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.371 28.904 6.443 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.811 27.908 6.375 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.724 28.908 8.514 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.970 29.696 7.672 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.467 30.460 7.874 1.00 25.00 H new ATOM 844 N PHE A 57 34.338 28.480 0.885 1.00 25.00 N ATOM 845 CA PHE A 57 32.975 28.410 0.358 1.00 25.00 C ATOM 846 C PHE A 57 32.865 27.379 -0.756 1.00 25.00 C ATOM 847 O PHE A 57 32.018 26.507 -0.696 1.00 25.00 O ATOM 848 CB PHE A 57 32.502 29.779 -0.131 1.00 25.00 C ATOM 849 CG PHE A 57 31.076 29.783 -0.603 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.021 29.902 0.319 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.774 29.646 -1.971 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.675 29.896 -0.115 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.431 29.637 -2.416 1.00 25.00 C ATOM 854 CZ PHE A 57 28.382 29.757 -1.485 1.00 25.00 C ATOM 0 H PHE A 57 34.808 29.374 0.743 1.00 25.00 H new ATOM 0 HA PHE A 57 32.325 28.096 1.175 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.612 30.503 0.676 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.147 30.109 -0.945 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.241 29.999 1.372 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.575 29.547 -2.688 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.874 29.998 0.602 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.211 29.538 -3.469 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.356 29.742 -1.821 1.00 25.00 H new ATOM 864 N SER A 58 33.738 27.456 -1.747 1.00 25.00 N ATOM 865 CA SER A 58 33.734 26.531 -2.873 1.00 25.00 C ATOM 866 C SER A 58 34.055 25.107 -2.439 1.00 25.00 C ATOM 867 O SER A 58 33.455 24.150 -2.921 1.00 25.00 O ATOM 868 CB SER A 58 34.771 26.990 -3.903 1.00 25.00 C ATOM 869 OG SER A 58 34.746 26.171 -5.055 1.00 25.00 O ATOM 0 H SER A 58 34.472 28.163 -1.795 1.00 25.00 H new ATOM 0 HA SER A 58 32.734 26.532 -3.306 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.574 28.024 -4.185 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.765 26.965 -3.457 1.00 25.00 H new ATOM 0 HG SER A 58 35.416 26.487 -5.696 1.00 25.00 H new ATOM 875 N ARG A 59 34.980 24.967 -1.501 1.00 25.00 N ATOM 876 CA ARG A 59 35.376 23.649 -1.010 1.00 25.00 C ATOM 877 C ARG A 59 34.200 22.958 -0.346 1.00 25.00 C ATOM 878 O ARG A 59 33.922 21.796 -0.612 1.00 25.00 O ATOM 879 CB ARG A 59 36.547 23.802 -0.032 1.00 25.00 C ATOM 880 CG ARG A 59 37.169 22.481 0.449 1.00 25.00 C ATOM 881 CD ARG A 59 36.512 21.915 1.710 1.00 25.00 C ATOM 882 NE ARG A 59 36.725 22.760 2.897 1.00 25.00 N ATOM 883 CZ ARG A 59 36.301 22.472 4.125 1.00 25.00 C ATOM 884 NH1 ARG A 59 35.638 21.383 4.409 1.00 25.00 N ATOM 885 NH2 ARG A 59 36.552 23.306 5.094 1.00 25.00 N ATOM 0 H ARG A 59 35.471 25.746 -1.063 1.00 25.00 H new ATOM 0 HA ARG A 59 35.696 23.030 -1.848 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.324 24.399 -0.510 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.204 24.362 0.838 1.00 25.00 H new ATOM 0 HG2 ARG A 59 37.096 21.743 -0.350 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.230 22.638 0.642 1.00 25.00 H new ATOM 0 HD2 ARG A 59 35.442 21.804 1.537 1.00 25.00 H new ATOM 0 HD3 ARG A 59 36.909 20.918 1.904 1.00 25.00 H new ATOM 0 HE ARG A 59 37.237 23.633 2.768 1.00 25.00 H new ATOM 0 HH11 ARG A 59 35.424 20.709 3.673 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.334 21.206 5.366 1.00 25.00 H new ATOM 0 HH21 ARG A 59 37.067 24.166 4.906 1.00 25.00 H new ATOM 0 HH22 ARG A 59 36.233 23.099 6.041 1.00 25.00 H new ATOM 899 N VAL A 60 33.486 23.670 0.504 1.00 25.00 N ATOM 900 CA VAL A 60 32.335 23.075 1.169 1.00 25.00 C ATOM 901 C VAL A 60 31.218 22.901 0.145 1.00 25.00 C ATOM 902 O VAL A 60 30.487 21.929 0.194 1.00 25.00 O ATOM 903 CB VAL A 60 31.852 23.933 2.370 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.625 23.295 3.023 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.976 24.064 3.418 1.00 25.00 C ATOM 0 H VAL A 60 33.674 24.642 0.750 1.00 25.00 H new ATOM 0 HA VAL A 60 32.625 22.106 1.575 1.00 25.00 H new ATOM 0 HB VAL A 60 31.586 24.922 1.997 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.299 23.909 3.863 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.820 23.223 2.292 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.880 22.297 3.380 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.625 24.668 4.255 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.256 23.074 3.777 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.843 24.543 2.964 1.00 25.00 H new ATOM 915 N LEU A 61 31.109 23.815 -0.808 1.00 25.00 N ATOM 916 CA LEU A 61 30.080 23.718 -1.843 1.00 25.00 C ATOM 917 C LEU A 61 30.203 22.413 -2.624 1.00 25.00 C ATOM 918 O LEU A 61 29.205 21.739 -2.859 1.00 25.00 O ATOM 919 CB LEU A 61 30.183 24.900 -2.810 1.00 25.00 C ATOM 920 CG LEU A 61 28.963 25.111 -3.714 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.134 26.248 -3.157 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.349 25.438 -5.152 1.00 25.00 C ATOM 0 H LEU A 61 31.716 24.631 -0.890 1.00 25.00 H new ATOM 0 HA LEU A 61 29.110 23.737 -1.346 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.348 25.809 -2.231 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.062 24.759 -3.439 1.00 25.00 H new ATOM 0 HG LEU A 61 28.399 24.179 -3.730 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.263 26.408 -3.792 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.807 25.999 -2.148 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.735 27.157 -3.130 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.447 25.577 -5.748 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.941 26.353 -5.171 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.935 24.618 -5.567 1.00 25.00 H new ATOM 934 N VAL A 62 31.413 22.039 -3.018 1.00 25.00 N ATOM 935 CA VAL A 62 31.590 20.786 -3.757 1.00 25.00 C ATOM 936 C VAL A 62 31.401 19.581 -2.837 1.00 25.00 C ATOM 937 O VAL A 62 30.777 18.611 -3.230 1.00 25.00 O ATOM 938 CB VAL A 62 32.948 20.725 -4.542 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.170 20.706 -3.626 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.972 19.513 -5.474 1.00 25.00 C ATOM 0 H VAL A 62 32.269 22.566 -2.847 1.00 25.00 H new ATOM 0 HA VAL A 62 30.811 20.752 -4.518 1.00 25.00 H new ATOM 0 HB VAL A 62 33.007 21.642 -5.129 1.00 25.00 H new ATOM 0 HG11 VAL A 62 35.077 20.663 -4.230 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.182 21.610 -3.016 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.125 19.831 -2.977 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.920 19.485 -6.011 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.860 18.601 -4.888 1.00 25.00 H new ATOM 0 HG23 VAL A 62 32.153 19.587 -6.189 1.00 25.00 H new ATOM 950 N GLU A 63 31.851 19.657 -1.594 1.00 25.00 N ATOM 951 CA GLU A 63 31.630 18.552 -0.648 1.00 25.00 C ATOM 952 C GLU A 63 30.141 18.333 -0.401 1.00 25.00 C ATOM 953 O GLU A 63 29.667 17.199 -0.339 1.00 25.00 O ATOM 954 CB GLU A 63 32.320 18.814 0.687 1.00 25.00 C ATOM 955 CG GLU A 63 33.804 18.561 0.641 1.00 25.00 C ATOM 956 CD GLU A 63 34.401 18.462 2.026 1.00 25.00 C ATOM 957 OE1 GLU A 63 34.474 17.346 2.572 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.777 19.511 2.586 1.00 25.00 O ATOM 0 H GLU A 63 32.363 20.453 -1.213 1.00 25.00 H new ATOM 0 HA GLU A 63 32.059 17.658 -1.100 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.142 19.847 0.985 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.872 18.180 1.452 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.998 17.638 0.095 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.293 19.365 0.091 1.00 25.00 H new ATOM 965 N GLN A 64 29.393 19.422 -0.316 1.00 25.00 N ATOM 966 CA GLN A 64 27.947 19.348 -0.171 1.00 25.00 C ATOM 967 C GLN A 64 27.369 18.636 -1.381 1.00 25.00 C ATOM 968 O GLN A 64 26.502 17.791 -1.242 1.00 25.00 O ATOM 969 CB GLN A 64 27.338 20.753 -0.086 1.00 25.00 C ATOM 970 CG GLN A 64 27.488 21.436 1.267 1.00 25.00 C ATOM 971 CD GLN A 64 26.471 20.961 2.266 1.00 25.00 C ATOM 972 OE1 GLN A 64 25.276 20.954 1.985 1.00 25.00 O ATOM 973 NE2 GLN A 64 26.919 20.611 3.443 1.00 25.00 N ATOM 0 H GLN A 64 29.765 20.371 -0.345 1.00 25.00 H new ATOM 0 HA GLN A 64 27.712 18.806 0.745 1.00 25.00 H new ATOM 0 HB2 GLN A 64 27.802 21.381 -0.847 1.00 25.00 H new ATOM 0 HB3 GLN A 64 26.277 20.689 -0.329 1.00 25.00 H new ATOM 0 HG2 GLN A 64 28.489 21.250 1.656 1.00 25.00 H new ATOM 0 HG3 GLN A 64 27.391 22.514 1.139 1.00 25.00 H new ATOM 0 HE21 GLN A 64 27.921 20.631 3.634 1.00 25.00 H new ATOM 0 HE22 GLN A 64 26.267 20.317 4.170 1.00 25.00 H new ATOM 982 N GLN A 65 27.847 18.971 -2.569 1.00 25.00 N ATOM 983 CA GLN A 65 27.338 18.347 -3.794 1.00 25.00 C ATOM 984 C GLN A 65 27.686 16.860 -3.863 1.00 25.00 C ATOM 985 O GLN A 65 26.863 16.062 -4.292 1.00 25.00 O ATOM 986 CB GLN A 65 27.864 19.073 -5.031 1.00 25.00 C ATOM 987 CG GLN A 65 27.241 20.450 -5.217 1.00 25.00 C ATOM 988 CD GLN A 65 27.815 21.185 -6.402 1.00 25.00 C ATOM 989 OE1 GLN A 65 27.343 21.045 -7.510 1.00 25.00 O ATOM 990 NE2 GLN A 65 28.817 21.989 -6.164 1.00 25.00 N ATOM 0 H GLN A 65 28.580 19.664 -2.718 1.00 25.00 H new ATOM 0 HA GLN A 65 26.252 18.432 -3.771 1.00 25.00 H new ATOM 0 HB2 GLN A 65 28.946 19.177 -4.953 1.00 25.00 H new ATOM 0 HB3 GLN A 65 27.665 18.467 -5.915 1.00 25.00 H new ATOM 0 HG2 GLN A 65 26.164 20.344 -5.345 1.00 25.00 H new ATOM 0 HG3 GLN A 65 27.398 21.042 -4.315 1.00 25.00 H new ATOM 0 HE21 GLN A 65 29.185 22.078 -5.217 1.00 25.00 H new ATOM 0 HE22 GLN A 65 29.231 22.527 -6.925 1.00 25.00 H new ATOM 999 N GLN A 66 28.860 16.473 -3.379 1.00 25.00 N ATOM 1000 CA GLN A 66 29.239 15.060 -3.345 1.00 25.00 C ATOM 1001 C GLN A 66 28.284 14.266 -2.455 1.00 25.00 C ATOM 1002 O GLN A 66 27.926 13.131 -2.765 1.00 25.00 O ATOM 1003 CB GLN A 66 30.668 14.908 -2.818 1.00 25.00 C ATOM 1004 CG GLN A 66 31.737 15.447 -3.763 1.00 25.00 C ATOM 1005 CD GLN A 66 31.797 14.686 -5.066 1.00 25.00 C ATOM 1006 OE1 GLN A 66 31.943 13.476 -5.079 1.00 25.00 O ATOM 1007 NE2 GLN A 66 31.672 15.390 -6.163 1.00 25.00 N ATOM 0 H GLN A 66 29.564 17.110 -3.006 1.00 25.00 H new ATOM 0 HA GLN A 66 29.183 14.670 -4.361 1.00 25.00 H new ATOM 0 HB2 GLN A 66 30.749 15.425 -1.862 1.00 25.00 H new ATOM 0 HB3 GLN A 66 30.864 13.853 -2.628 1.00 25.00 H new ATOM 0 HG2 GLN A 66 31.538 16.499 -3.969 1.00 25.00 H new ATOM 0 HG3 GLN A 66 32.709 15.397 -3.272 1.00 25.00 H new ATOM 0 HE21 GLN A 66 31.552 16.401 -6.109 1.00 25.00 H new ATOM 0 HE22 GLN A 66 31.695 14.927 -7.072 1.00 25.00 H new ATOM 1016 N ASP A 67 27.850 14.861 -1.354 1.00 25.00 N ATOM 1017 CA ASP A 67 26.892 14.185 -0.480 1.00 25.00 C ATOM 1018 C ASP A 67 25.497 14.195 -1.081 1.00 25.00 C ATOM 1019 O ASP A 67 24.750 13.218 -0.989 1.00 25.00 O ATOM 1020 CB ASP A 67 26.835 14.834 0.895 1.00 25.00 C ATOM 1021 CG ASP A 67 26.150 13.942 1.909 1.00 25.00 C ATOM 1022 OD1 ASP A 67 25.071 14.311 2.413 1.00 25.00 O ATOM 1023 OD2 ASP A 67 26.679 12.829 2.161 1.00 25.00 O ATOM 0 H ASP A 67 28.136 15.790 -1.045 1.00 25.00 H new ATOM 0 HA ASP A 67 27.238 13.156 -0.377 1.00 25.00 H new ATOM 0 HB2 ASP A 67 27.847 15.059 1.233 1.00 25.00 H new ATOM 0 HB3 ASP A 67 26.303 15.783 0.827 1.00 25.00 H new ATOM 1028 N ARG A 68 25.154 15.295 -1.734 1.00 25.00 N ATOM 1029 CA ARG A 68 23.847 15.426 -2.368 1.00 25.00 C ATOM 1030 C ARG A 68 23.687 14.398 -3.461 1.00 25.00 C ATOM 1031 O ARG A 68 22.631 13.820 -3.581 1.00 25.00 O ATOM 1032 CB ARG A 68 23.646 16.827 -2.933 1.00 25.00 C ATOM 1033 CG ARG A 68 23.367 17.857 -1.856 1.00 25.00 C ATOM 1034 CD ARG A 68 23.492 19.262 -2.400 1.00 25.00 C ATOM 1035 NE ARG A 68 23.659 20.232 -1.304 1.00 25.00 N ATOM 1036 CZ ARG A 68 23.738 21.547 -1.452 1.00 25.00 C ATOM 1037 NH1 ARG A 68 23.649 22.127 -2.625 1.00 25.00 N ATOM 1038 NH2 ARG A 68 23.914 22.292 -0.397 1.00 25.00 N ATOM 0 H ARG A 68 25.759 16.109 -1.840 1.00 25.00 H new ATOM 0 HA ARG A 68 23.087 15.255 -1.606 1.00 25.00 H new ATOM 0 HB2 ARG A 68 24.536 17.121 -3.490 1.00 25.00 H new ATOM 0 HB3 ARG A 68 22.817 16.814 -3.641 1.00 25.00 H new ATOM 0 HG2 ARG A 68 22.364 17.707 -1.456 1.00 25.00 H new ATOM 0 HG3 ARG A 68 24.064 17.721 -1.029 1.00 25.00 H new ATOM 0 HD2 ARG A 68 24.344 19.321 -3.077 1.00 25.00 H new ATOM 0 HD3 ARG A 68 22.605 19.512 -2.982 1.00 25.00 H new ATOM 0 HE ARG A 68 23.719 19.862 -0.355 1.00 25.00 H new ATOM 0 HH11 ARG A 68 23.514 21.563 -3.464 1.00 25.00 H new ATOM 0 HH12 ARG A 68 23.715 23.142 -2.698 1.00 25.00 H new ATOM 0 HH21 ARG A 68 23.989 21.861 0.525 1.00 25.00 H new ATOM 0 HH22 ARG A 68 23.977 23.306 -0.493 1.00 25.00 H new ATOM 1052 N ALA A 69 24.747 14.110 -4.200 1.00 25.00 N ATOM 1053 CA ALA A 69 24.699 13.108 -5.265 1.00 25.00 C ATOM 1054 C ALA A 69 24.205 11.743 -4.756 1.00 25.00 C ATOM 1055 O ALA A 69 23.559 10.995 -5.490 1.00 25.00 O ATOM 1056 CB ALA A 69 26.089 12.970 -5.906 1.00 25.00 C ATOM 0 H ALA A 69 25.657 14.556 -4.085 1.00 25.00 H new ATOM 0 HA ALA A 69 23.982 13.448 -6.012 1.00 25.00 H new ATOM 0 HB1 ALA A 69 26.051 12.223 -6.699 1.00 25.00 H new ATOM 0 HB2 ALA A 69 26.393 13.929 -6.325 1.00 25.00 H new ATOM 0 HB3 ALA A 69 26.809 12.660 -5.149 1.00 25.00 H new ATOM 1062 N ARG A 70 24.484 11.427 -3.498 1.00 25.00 N ATOM 1063 CA ARG A 70 24.036 10.159 -2.914 1.00 25.00 C ATOM 1064 C ARG A 70 22.529 10.143 -2.695 1.00 25.00 C ATOM 1065 O ARG A 70 21.845 9.203 -3.076 1.00 25.00 O ATOM 1066 CB ARG A 70 24.737 9.922 -1.572 1.00 25.00 C ATOM 1067 CG ARG A 70 26.244 10.002 -1.666 1.00 25.00 C ATOM 1068 CD ARG A 70 26.905 9.545 -0.364 1.00 25.00 C ATOM 1069 NE ARG A 70 27.536 10.655 0.373 1.00 25.00 N ATOM 1070 CZ ARG A 70 28.777 11.096 0.195 1.00 25.00 C ATOM 1071 NH1 ARG A 70 29.586 10.596 -0.708 1.00 25.00 N ATOM 1072 NH2 ARG A 70 29.207 12.064 0.949 1.00 25.00 N ATOM 0 H ARG A 70 25.014 12.023 -2.862 1.00 25.00 H new ATOM 0 HA ARG A 70 24.293 9.367 -3.617 1.00 25.00 H new ATOM 0 HB2 ARG A 70 24.385 10.659 -0.850 1.00 25.00 H new ATOM 0 HB3 ARG A 70 24.455 8.941 -1.190 1.00 25.00 H new ATOM 0 HG2 ARG A 70 26.593 9.381 -2.491 1.00 25.00 H new ATOM 0 HG3 ARG A 70 26.543 11.026 -1.889 1.00 25.00 H new ATOM 0 HD2 ARG A 70 26.157 9.071 0.272 1.00 25.00 H new ATOM 0 HD3 ARG A 70 27.658 8.789 -0.589 1.00 25.00 H new ATOM 0 HE ARG A 70 26.971 11.125 1.081 1.00 25.00 H new ATOM 0 HH11 ARG A 70 29.270 9.836 -1.310 1.00 25.00 H new ATOM 0 HH12 ARG A 70 30.531 10.967 -0.808 1.00 25.00 H new ATOM 0 HH21 ARG A 70 28.596 12.468 1.658 1.00 25.00 H new ATOM 0 HH22 ARG A 70 30.156 12.419 0.831 1.00 25.00 H new ATOM 1086 N ARG A 71 22.017 11.189 -2.066 1.00 25.00 N ATOM 1087 CA ARG A 71 20.589 11.266 -1.725 1.00 25.00 C ATOM 1088 C ARG A 71 19.716 11.647 -2.907 1.00 25.00 C ATOM 1089 O ARG A 71 18.535 11.320 -2.944 1.00 25.00 O ATOM 1090 CB ARG A 71 20.366 12.260 -0.582 1.00 25.00 C ATOM 1091 CG ARG A 71 20.959 13.646 -0.810 1.00 25.00 C ATOM 1092 CD ARG A 71 20.749 14.580 0.376 1.00 25.00 C ATOM 1093 NE ARG A 71 19.324 14.913 0.572 1.00 25.00 N ATOM 1094 CZ ARG A 71 18.546 14.442 1.543 1.00 25.00 C ATOM 1095 NH1 ARG A 71 18.982 13.613 2.460 1.00 25.00 N ATOM 1096 NH2 ARG A 71 17.296 14.813 1.589 1.00 25.00 N ATOM 0 H ARG A 71 22.562 12.001 -1.777 1.00 25.00 H new ATOM 0 HA ARG A 71 20.293 10.264 -1.413 1.00 25.00 H new ATOM 0 HB2 ARG A 71 19.294 12.363 -0.414 1.00 25.00 H new ATOM 0 HB3 ARG A 71 20.793 11.844 0.330 1.00 25.00 H new ATOM 0 HG2 ARG A 71 22.027 13.551 -1.008 1.00 25.00 H new ATOM 0 HG3 ARG A 71 20.508 14.088 -1.699 1.00 25.00 H new ATOM 0 HD2 ARG A 71 21.140 14.112 1.280 1.00 25.00 H new ATOM 0 HD3 ARG A 71 21.318 15.497 0.221 1.00 25.00 H new ATOM 0 HE ARG A 71 18.900 15.559 -0.094 1.00 25.00 H new ATOM 0 HH11 ARG A 71 19.954 13.304 2.447 1.00 25.00 H new ATOM 0 HH12 ARG A 71 18.349 13.277 3.186 1.00 25.00 H new ATOM 0 HH21 ARG A 71 16.928 15.455 0.887 1.00 25.00 H new ATOM 0 HH22 ARG A 71 16.686 14.461 2.327 1.00 25.00 H new ATOM 1110 N GLU A 72 20.287 12.354 -3.861 1.00 25.00 N ATOM 1111 CA GLU A 72 19.532 12.827 -5.024 1.00 25.00 C ATOM 1112 C GLU A 72 18.973 11.674 -5.836 1.00 25.00 C ATOM 1113 O GLU A 72 17.902 11.785 -6.414 1.00 25.00 O ATOM 1114 CB GLU A 72 20.393 13.711 -5.927 1.00 25.00 C ATOM 1115 CG GLU A 72 19.917 15.163 -6.001 1.00 25.00 C ATOM 1116 CD GLU A 72 20.224 16.000 -4.743 1.00 25.00 C ATOM 1117 OE1 GLU A 72 19.832 15.597 -3.620 1.00 25.00 O ATOM 1118 OE2 GLU A 72 20.698 17.141 -4.900 1.00 25.00 O ATOM 0 H GLU A 72 21.272 12.619 -3.862 1.00 25.00 H new ATOM 0 HA GLU A 72 18.702 13.417 -4.636 1.00 25.00 H new ATOM 0 HB2 GLU A 72 21.421 13.693 -5.565 1.00 25.00 H new ATOM 0 HB3 GLU A 72 20.402 13.289 -6.932 1.00 25.00 H new ATOM 0 HG2 GLU A 72 20.382 15.641 -6.863 1.00 25.00 H new ATOM 0 HG3 GLU A 72 18.841 15.171 -6.174 1.00 25.00 H new ATOM 1125 N GLN A 73 19.676 10.553 -5.833 1.00 25.00 N ATOM 1126 CA GLN A 73 19.215 9.348 -6.526 1.00 25.00 C ATOM 1127 C GLN A 73 17.844 8.902 -6.003 1.00 25.00 C ATOM 1128 O GLN A 73 16.970 8.528 -6.779 1.00 25.00 O ATOM 1129 CB GLN A 73 20.241 8.227 -6.343 1.00 25.00 C ATOM 1130 CG GLN A 73 21.569 8.528 -7.020 1.00 25.00 C ATOM 1131 CD GLN A 73 22.638 7.524 -6.674 1.00 25.00 C ATOM 1132 OE1 GLN A 73 22.515 6.346 -6.957 1.00 25.00 O ATOM 1133 NE2 GLN A 73 23.704 7.991 -6.081 1.00 25.00 N ATOM 0 H GLN A 73 20.572 10.447 -5.358 1.00 25.00 H new ATOM 0 HA GLN A 73 19.111 9.576 -7.587 1.00 25.00 H new ATOM 0 HB2 GLN A 73 20.410 8.065 -5.278 1.00 25.00 H new ATOM 0 HB3 GLN A 73 19.835 7.299 -6.746 1.00 25.00 H new ATOM 0 HG2 GLN A 73 21.426 8.543 -8.101 1.00 25.00 H new ATOM 0 HG3 GLN A 73 21.903 9.524 -6.729 1.00 25.00 H new ATOM 0 HE21 GLN A 73 23.771 8.985 -5.860 1.00 25.00 H new ATOM 0 HE22 GLN A 73 24.470 7.362 -5.839 1.00 25.00 H new ATOM 1142 N GLU A 74 17.633 8.985 -4.699 1.00 25.00 N ATOM 1143 CA GLU A 74 16.330 8.647 -4.128 1.00 25.00 C ATOM 1144 C GLU A 74 15.323 9.761 -4.404 1.00 25.00 C ATOM 1145 O GLU A 74 14.151 9.506 -4.643 1.00 25.00 O ATOM 1146 CB GLU A 74 16.438 8.424 -2.617 1.00 25.00 C ATOM 1147 CG GLU A 74 17.277 7.208 -2.237 1.00 25.00 C ATOM 1148 CD GLU A 74 16.754 5.919 -2.870 1.00 25.00 C ATOM 1149 OE1 GLU A 74 15.528 5.665 -2.811 1.00 25.00 O ATOM 1150 OE2 GLU A 74 17.569 5.176 -3.451 1.00 25.00 O ATOM 0 H GLU A 74 18.335 9.279 -4.020 1.00 25.00 H new ATOM 0 HA GLU A 74 15.988 7.725 -4.598 1.00 25.00 H new ATOM 0 HB2 GLU A 74 16.872 9.312 -2.157 1.00 25.00 H new ATOM 0 HB3 GLU A 74 15.436 8.308 -2.203 1.00 25.00 H new ATOM 0 HG2 GLU A 74 18.309 7.370 -2.549 1.00 25.00 H new ATOM 0 HG3 GLU A 74 17.285 7.100 -1.152 1.00 25.00 H new ATOM 1157 N ARG A 75 15.780 11.007 -4.384 1.00 25.00 N ATOM 1158 CA ARG A 75 14.881 12.147 -4.604 1.00 25.00 C ATOM 1159 C ARG A 75 14.279 12.157 -5.999 1.00 25.00 C ATOM 1160 O ARG A 75 13.101 12.442 -6.147 1.00 25.00 O ATOM 1161 CB ARG A 75 15.604 13.469 -4.381 1.00 25.00 C ATOM 1162 CG ARG A 75 15.969 13.734 -2.931 1.00 25.00 C ATOM 1163 CD ARG A 75 16.778 15.005 -2.830 1.00 25.00 C ATOM 1164 NE ARG A 75 15.982 16.199 -3.163 1.00 25.00 N ATOM 1165 CZ ARG A 75 16.481 17.381 -3.513 1.00 25.00 C ATOM 1166 NH1 ARG A 75 17.767 17.605 -3.609 1.00 25.00 N ATOM 1167 NH2 ARG A 75 15.661 18.360 -3.777 1.00 25.00 N ATOM 0 H ARG A 75 16.755 11.258 -4.220 1.00 25.00 H new ATOM 0 HA ARG A 75 14.075 12.033 -3.879 1.00 25.00 H new ATOM 0 HB2 ARG A 75 16.513 13.480 -4.982 1.00 25.00 H new ATOM 0 HB3 ARG A 75 14.973 14.282 -4.741 1.00 25.00 H new ATOM 0 HG2 ARG A 75 15.065 13.819 -2.329 1.00 25.00 H new ATOM 0 HG3 ARG A 75 16.540 12.896 -2.531 1.00 25.00 H new ATOM 0 HD2 ARG A 75 17.172 15.104 -1.818 1.00 25.00 H new ATOM 0 HD3 ARG A 75 17.635 14.943 -3.501 1.00 25.00 H new ATOM 0 HE ARG A 75 14.967 16.112 -3.122 1.00 25.00 H new ATOM 0 HH11 ARG A 75 18.431 16.856 -3.412 1.00 25.00 H new ATOM 0 HH12 ARG A 75 18.105 18.528 -3.881 1.00 25.00 H new ATOM 0 HH21 ARG A 75 14.654 18.213 -3.714 1.00 25.00 H new ATOM 0 HH22 ARG A 75 16.027 19.273 -4.047 1.00 25.00 H new ATOM 1181 N ILE A 76 15.062 11.845 -7.022 1.00 25.00 N ATOM 1182 CA ILE A 76 14.522 11.828 -8.384 1.00 25.00 C ATOM 1183 C ILE A 76 13.551 10.661 -8.547 1.00 25.00 C ATOM 1184 O ILE A 76 12.695 10.681 -9.421 1.00 25.00 O ATOM 1185 CB ILE A 76 15.641 11.758 -9.479 1.00 25.00 C ATOM 1186 CG1 ILE A 76 16.468 10.459 -9.351 1.00 25.00 C ATOM 1187 CG2 ILE A 76 16.549 13.015 -9.378 1.00 25.00 C ATOM 1188 CD1 ILE A 76 17.479 10.226 -10.478 1.00 25.00 C ATOM 0 H ILE A 76 16.050 11.605 -6.945 1.00 25.00 H new ATOM 0 HA ILE A 76 13.994 12.770 -8.531 1.00 25.00 H new ATOM 0 HB ILE A 76 15.170 11.743 -10.462 1.00 25.00 H new ATOM 0 HG12 ILE A 76 17.002 10.477 -8.401 1.00 25.00 H new ATOM 0 HG13 ILE A 76 15.784 9.611 -9.315 1.00 25.00 H new ATOM 0 HG21 ILE A 76 17.327 12.964 -10.140 1.00 25.00 H new ATOM 0 HG22 ILE A 76 15.948 13.911 -9.532 1.00 25.00 H new ATOM 0 HG23 ILE A 76 17.010 13.052 -8.391 1.00 25.00 H new ATOM 0 HD11 ILE A 76 18.011 9.291 -10.302 1.00 25.00 H new ATOM 0 HD12 ILE A 76 16.954 10.171 -11.432 1.00 25.00 H new ATOM 0 HD13 ILE A 76 18.192 11.050 -10.503 1.00 25.00 H new ATOM 1200 N ARG A 77 13.678 9.651 -7.694 1.00 25.00 N ATOM 1201 CA ARG A 77 12.770 8.512 -7.721 1.00 25.00 C ATOM 1202 C ARG A 77 11.475 8.760 -6.964 1.00 25.00 C ATOM 1203 O ARG A 77 10.490 8.067 -7.185 1.00 25.00 O ATOM 1204 CB ARG A 77 13.455 7.280 -7.132 1.00 25.00 C ATOM 1205 CG ARG A 77 13.578 6.152 -8.125 1.00 25.00 C ATOM 1206 CD ARG A 77 12.212 5.635 -8.562 1.00 25.00 C ATOM 1207 NE ARG A 77 12.335 4.597 -9.594 1.00 25.00 N ATOM 1208 CZ ARG A 77 11.322 4.089 -10.283 1.00 25.00 C ATOM 1209 NH1 ARG A 77 10.081 4.470 -10.088 1.00 25.00 N ATOM 1210 NH2 ARG A 77 11.567 3.189 -11.192 1.00 25.00 N ATOM 0 H ARG A 77 14.401 9.598 -6.976 1.00 25.00 H new ATOM 0 HA ARG A 77 12.515 8.351 -8.768 1.00 25.00 H new ATOM 0 HB2 ARG A 77 14.448 7.556 -6.777 1.00 25.00 H new ATOM 0 HB3 ARG A 77 12.891 6.936 -6.265 1.00 25.00 H new ATOM 0 HG2 ARG A 77 14.134 6.494 -8.998 1.00 25.00 H new ATOM 0 HG3 ARG A 77 14.151 5.337 -7.682 1.00 25.00 H new ATOM 0 HD2 ARG A 77 11.682 5.231 -7.700 1.00 25.00 H new ATOM 0 HD3 ARG A 77 11.614 6.462 -8.945 1.00 25.00 H new ATOM 0 HE ARG A 77 13.269 4.240 -9.796 1.00 25.00 H new ATOM 0 HH11 ARG A 77 9.870 5.180 -9.387 1.00 25.00 H new ATOM 0 HH12 ARG A 77 9.328 4.056 -10.638 1.00 25.00 H new ATOM 0 HH21 ARG A 77 12.526 2.886 -11.364 1.00 25.00 H new ATOM 0 HH22 ARG A 77 10.800 2.787 -11.732 1.00 25.00 H new ATOM 1224 N LEU A 78 11.514 9.697 -6.030 1.00 25.00 N ATOM 1225 CA LEU A 78 10.377 9.970 -5.155 1.00 25.00 C ATOM 1226 C LEU A 78 9.186 10.464 -5.960 1.00 25.00 C ATOM 1227 O LEU A 78 8.079 9.971 -5.803 1.00 25.00 O ATOM 1228 CB LEU A 78 10.794 11.014 -4.103 1.00 25.00 C ATOM 1229 CG LEU A 78 9.843 11.325 -2.929 1.00 25.00 C ATOM 1230 CD1 LEU A 78 10.674 11.962 -1.805 1.00 25.00 C ATOM 1231 CD2 LEU A 78 8.699 12.279 -3.299 1.00 25.00 C ATOM 0 H LEU A 78 12.327 10.288 -5.855 1.00 25.00 H new ATOM 0 HA LEU A 78 10.077 9.050 -4.653 1.00 25.00 H new ATOM 0 HB2 LEU A 78 11.744 10.689 -3.678 1.00 25.00 H new ATOM 0 HB3 LEU A 78 10.983 11.950 -4.628 1.00 25.00 H new ATOM 0 HG LEU A 78 9.380 10.386 -2.625 1.00 25.00 H new ATOM 0 HD11 LEU A 78 10.026 12.193 -0.960 1.00 25.00 H new ATOM 0 HD12 LEU A 78 11.450 11.266 -1.487 1.00 25.00 H new ATOM 0 HD13 LEU A 78 11.136 12.879 -2.169 1.00 25.00 H new ATOM 0 HD21 LEU A 78 8.072 12.451 -2.424 1.00 25.00 H new ATOM 0 HD22 LEU A 78 9.113 13.227 -3.642 1.00 25.00 H new ATOM 0 HD23 LEU A 78 8.099 11.836 -4.094 1.00 25.00 H new ATOM 1243 N PHE A 79 9.427 11.450 -6.813 1.00 25.00 N ATOM 1244 CA PHE A 79 8.351 12.096 -7.556 1.00 25.00 C ATOM 1245 C PHE A 79 7.719 11.165 -8.587 1.00 25.00 C ATOM 1246 O PHE A 79 8.274 10.909 -9.655 1.00 25.00 O ATOM 1247 CB PHE A 79 8.874 13.361 -8.227 1.00 25.00 C ATOM 1248 CG PHE A 79 9.562 14.301 -7.272 1.00 25.00 C ATOM 1249 CD1 PHE A 79 8.827 14.969 -6.273 1.00 25.00 C ATOM 1250 CD2 PHE A 79 10.952 14.509 -7.353 1.00 25.00 C ATOM 1251 CE1 PHE A 79 9.474 15.841 -5.360 1.00 25.00 C ATOM 1252 CE2 PHE A 79 11.609 15.378 -6.447 1.00 25.00 C ATOM 1253 CZ PHE A 79 10.866 16.044 -5.448 1.00 25.00 C ATOM 0 H PHE A 79 10.357 11.821 -7.008 1.00 25.00 H new ATOM 0 HA PHE A 79 7.568 12.358 -6.844 1.00 25.00 H new ATOM 0 HB2 PHE A 79 9.571 13.083 -9.018 1.00 25.00 H new ATOM 0 HB3 PHE A 79 8.043 13.882 -8.703 1.00 25.00 H new ATOM 0 HD1 PHE A 79 7.760 14.816 -6.201 1.00 25.00 H new ATOM 0 HD2 PHE A 79 11.524 14.000 -8.115 1.00 25.00 H new ATOM 0 HE1 PHE A 79 8.901 16.349 -4.598 1.00 25.00 H new ATOM 0 HE2 PHE A 79 12.676 15.531 -6.520 1.00 25.00 H new ATOM 0 HZ PHE A 79 11.362 16.706 -4.754 1.00 25.00 H new ATOM 1263 N SER A 80 6.541 10.678 -8.243 1.00 25.00 N ATOM 1264 CA SER A 80 5.795 9.721 -9.054 1.00 25.00 C ATOM 1265 C SER A 80 4.400 10.264 -9.347 1.00 25.00 C ATOM 1266 O SER A 80 3.418 9.529 -9.288 1.00 25.00 O ATOM 1267 CB SER A 80 5.689 8.398 -8.293 1.00 25.00 C ATOM 1268 OG SER A 80 6.978 7.938 -7.912 1.00 25.00 O ATOM 0 H SER A 80 6.064 10.938 -7.379 1.00 25.00 H new ATOM 0 HA SER A 80 6.314 9.560 -9.999 1.00 25.00 H new ATOM 0 HB2 SER A 80 5.067 8.530 -7.408 1.00 25.00 H new ATOM 0 HB3 SER A 80 5.200 7.651 -8.918 1.00 25.00 H new ATOM 0 HG SER A 80 7.328 8.504 -7.193 1.00 25.00 H new ATOM 1274 N ALA A 81 4.337 11.571 -9.606 1.00 25.00 N ATOM 1275 CA ALA A 81 3.077 12.314 -9.795 1.00 25.00 C ATOM 1276 C ALA A 81 2.206 12.179 -8.536 1.00 25.00 C ATOM 1277 O ALA A 81 0.982 12.059 -8.596 1.00 25.00 O ATOM 1278 CB ALA A 81 2.337 11.839 -11.062 1.00 25.00 C ATOM 0 H ALA A 81 5.168 12.157 -9.693 1.00 25.00 H new ATOM 0 HA ALA A 81 3.303 13.370 -9.943 1.00 25.00 H new ATOM 0 HB1 ALA A 81 1.412 12.404 -11.176 1.00 25.00 H new ATOM 0 HB2 ALA A 81 2.970 11.999 -11.935 1.00 25.00 H new ATOM 0 HB3 ALA A 81 2.105 10.778 -10.972 1.00 25.00 H new ATOM 1284 N ASP A 82 2.892 12.193 -7.407 1.00 25.00 N ATOM 1285 CA ASP A 82 2.321 12.040 -6.082 1.00 25.00 C ATOM 1286 C ASP A 82 2.426 13.400 -5.377 1.00 25.00 C ATOM 1287 O ASP A 82 3.116 14.301 -5.872 1.00 25.00 O ATOM 1288 CB ASP A 82 3.127 10.958 -5.333 1.00 25.00 C ATOM 1289 CG ASP A 82 4.584 11.363 -5.084 1.00 25.00 C ATOM 1290 OD1 ASP A 82 5.269 11.808 -6.044 1.00 25.00 O ATOM 1291 OD2 ASP A 82 5.067 11.149 -3.960 1.00 25.00 O ATOM 0 H ASP A 82 3.904 12.316 -7.388 1.00 25.00 H new ATOM 0 HA ASP A 82 1.276 11.732 -6.115 1.00 25.00 H new ATOM 0 HB2 ASP A 82 2.645 10.750 -4.378 1.00 25.00 H new ATOM 0 HB3 ASP A 82 3.106 10.033 -5.909 1.00 25.00 H new ATOM 1296 N PRO A 83 1.723 13.591 -4.242 1.00 25.00 N ATOM 1297 CA PRO A 83 1.872 14.901 -3.599 1.00 25.00 C ATOM 1298 C PRO A 83 3.245 15.065 -2.951 1.00 25.00 C ATOM 1299 O PRO A 83 3.939 14.098 -2.683 1.00 25.00 O ATOM 1300 CB PRO A 83 0.762 14.890 -2.548 1.00 25.00 C ATOM 1301 CG PRO A 83 0.653 13.479 -2.167 1.00 25.00 C ATOM 1302 CD PRO A 83 0.811 12.727 -3.469 1.00 25.00 C ATOM 0 HA PRO A 83 1.797 15.730 -4.303 1.00 25.00 H new ATOM 0 HB2 PRO A 83 1.015 15.517 -1.693 1.00 25.00 H new ATOM 0 HB3 PRO A 83 -0.176 15.268 -2.954 1.00 25.00 H new ATOM 0 HG2 PRO A 83 1.425 13.200 -1.450 1.00 25.00 H new ATOM 0 HG3 PRO A 83 -0.308 13.266 -1.699 1.00 25.00 H new ATOM 0 HD2 PRO A 83 1.232 11.734 -3.313 1.00 25.00 H new ATOM 0 HD3 PRO A 83 -0.144 12.593 -3.976 1.00 25.00 H new ATOM 1310 N PHE A 84 3.629 16.303 -2.688 1.00 25.00 N ATOM 1311 CA PHE A 84 4.962 16.596 -2.158 1.00 25.00 C ATOM 1312 C PHE A 84 5.008 16.545 -0.636 1.00 25.00 C ATOM 1313 O PHE A 84 5.975 16.978 -0.008 1.00 25.00 O ATOM 1314 CB PHE A 84 5.418 17.966 -2.657 1.00 25.00 C ATOM 1315 CG PHE A 84 5.297 18.130 -4.150 1.00 25.00 C ATOM 1316 CD1 PHE A 84 6.015 17.287 -5.022 1.00 25.00 C ATOM 1317 CD2 PHE A 84 4.453 19.116 -4.693 1.00 25.00 C ATOM 1318 CE1 PHE A 84 5.894 17.426 -6.428 1.00 25.00 C ATOM 1319 CE2 PHE A 84 4.324 19.266 -6.098 1.00 25.00 C ATOM 1320 CZ PHE A 84 5.046 18.417 -6.965 1.00 25.00 C ATOM 0 H PHE A 84 3.042 17.125 -2.831 1.00 25.00 H new ATOM 0 HA PHE A 84 5.640 15.823 -2.520 1.00 25.00 H new ATOM 0 HB2 PHE A 84 4.827 18.739 -2.165 1.00 25.00 H new ATOM 0 HB3 PHE A 84 6.456 18.124 -2.365 1.00 25.00 H new ATOM 0 HD1 PHE A 84 6.665 16.527 -4.615 1.00 25.00 H new ATOM 0 HD2 PHE A 84 3.897 19.766 -4.033 1.00 25.00 H new ATOM 0 HE1 PHE A 84 6.450 16.775 -7.086 1.00 25.00 H new ATOM 0 HE2 PHE A 84 3.675 20.028 -6.503 1.00 25.00 H new ATOM 0 HZ PHE A 84 4.949 18.526 -8.035 1.00 25.00 H new ATOM 1330 N ASP A 85 3.964 15.980 -0.057 1.00 25.00 N ATOM 1331 CA ASP A 85 3.818 15.836 1.387 1.00 25.00 C ATOM 1332 C ASP A 85 4.552 14.578 1.838 1.00 25.00 C ATOM 1333 O ASP A 85 3.995 13.709 2.486 1.00 25.00 O ATOM 1334 CB ASP A 85 2.334 15.745 1.743 1.00 25.00 C ATOM 1335 CG ASP A 85 1.582 17.006 1.381 1.00 25.00 C ATOM 1336 OD1 ASP A 85 0.866 17.002 0.353 1.00 25.00 O ATOM 1337 OD2 ASP A 85 1.740 18.020 2.092 1.00 25.00 O ATOM 0 H ASP A 85 3.177 15.600 -0.584 1.00 25.00 H new ATOM 0 HA ASP A 85 4.246 16.700 1.895 1.00 25.00 H new ATOM 0 HB2 ASP A 85 1.889 14.897 1.223 1.00 25.00 H new ATOM 0 HB3 ASP A 85 2.229 15.555 2.811 1.00 25.00 H new ATOM 1342 N LEU A 86 5.814 14.481 1.451 1.00 25.00 N ATOM 1343 CA LEU A 86 6.635 13.312 1.753 1.00 25.00 C ATOM 1344 C LEU A 86 6.808 13.105 3.261 1.00 25.00 C ATOM 1345 O LEU A 86 6.882 11.974 3.727 1.00 25.00 O ATOM 1346 CB LEU A 86 8.000 13.447 1.058 1.00 25.00 C ATOM 1347 CG LEU A 86 8.806 14.729 1.349 1.00 25.00 C ATOM 1348 CD1 LEU A 86 9.986 14.432 2.276 1.00 25.00 C ATOM 1349 CD2 LEU A 86 9.314 15.344 0.046 1.00 25.00 C ATOM 0 H LEU A 86 6.299 15.205 0.921 1.00 25.00 H new ATOM 0 HA LEU A 86 6.121 12.429 1.372 1.00 25.00 H new ATOM 0 HB2 LEU A 86 8.611 12.590 1.341 1.00 25.00 H new ATOM 0 HB3 LEU A 86 7.841 13.383 -0.018 1.00 25.00 H new ATOM 0 HG LEU A 86 8.144 15.439 1.845 1.00 25.00 H new ATOM 0 HD11 LEU A 86 10.539 15.352 2.467 1.00 25.00 H new ATOM 0 HD12 LEU A 86 9.616 14.029 3.219 1.00 25.00 H new ATOM 0 HD13 LEU A 86 10.645 13.703 1.804 1.00 25.00 H new ATOM 0 HD21 LEU A 86 9.881 16.248 0.267 1.00 25.00 H new ATOM 0 HD22 LEU A 86 9.957 14.629 -0.467 1.00 25.00 H new ATOM 0 HD23 LEU A 86 8.467 15.594 -0.593 1.00 25.00 H new ATOM 1361 N GLU A 87 6.887 14.192 4.019 1.00 25.00 N ATOM 1362 CA GLU A 87 6.967 14.094 5.479 1.00 25.00 C ATOM 1363 C GLU A 87 5.578 13.999 6.115 1.00 25.00 C ATOM 1364 O GLU A 87 5.375 13.242 7.060 1.00 25.00 O ATOM 1365 CB GLU A 87 7.786 15.257 6.064 1.00 25.00 C ATOM 1366 CG GLU A 87 7.270 16.674 5.800 1.00 25.00 C ATOM 1367 CD GLU A 87 8.276 17.731 6.263 1.00 25.00 C ATOM 1368 OE1 GLU A 87 9.344 17.856 5.629 1.00 25.00 O ATOM 1369 OE2 GLU A 87 8.025 18.396 7.296 1.00 25.00 O ATOM 0 H GLU A 87 6.898 15.145 3.655 1.00 25.00 H new ATOM 0 HA GLU A 87 7.489 13.169 5.723 1.00 25.00 H new ATOM 0 HB2 GLU A 87 7.851 15.116 7.143 1.00 25.00 H new ATOM 0 HB3 GLU A 87 8.801 15.188 5.672 1.00 25.00 H new ATOM 0 HG2 GLU A 87 7.073 16.799 4.735 1.00 25.00 H new ATOM 0 HG3 GLU A 87 6.322 16.820 6.318 1.00 25.00 H new ATOM 1376 N ALA A 88 4.649 14.789 5.581 1.00 25.00 N ATOM 1377 CA ALA A 88 3.240 14.855 6.025 1.00 25.00 C ATOM 1378 C ALA A 88 3.055 14.978 7.554 1.00 25.00 C ATOM 1379 O ALA A 88 2.048 14.531 8.109 1.00 25.00 O ATOM 1380 CB ALA A 88 2.467 13.637 5.480 1.00 25.00 C ATOM 0 H ALA A 88 4.851 15.421 4.807 1.00 25.00 H new ATOM 0 HA ALA A 88 2.834 15.779 5.614 1.00 25.00 H new ATOM 0 HB1 ALA A 88 1.429 13.688 5.809 1.00 25.00 H new ATOM 0 HB2 ALA A 88 2.503 13.641 4.391 1.00 25.00 H new ATOM 0 HB3 ALA A 88 2.922 12.720 5.855 1.00 25.00 H new ATOM 1386 N GLN A 89 4.030 15.567 8.230 1.00 25.00 N ATOM 1387 CA GLN A 89 4.001 15.671 9.684 1.00 25.00 C ATOM 1388 C GLN A 89 3.418 17.003 10.147 1.00 25.00 C ATOM 1389 O GLN A 89 3.497 18.011 9.445 1.00 25.00 O ATOM 1390 CB GLN A 89 5.421 15.495 10.246 1.00 25.00 C ATOM 1391 CG GLN A 89 6.385 16.640 9.913 1.00 25.00 C ATOM 1392 CD GLN A 89 7.807 16.342 10.340 1.00 25.00 C ATOM 1393 OE1 GLN A 89 8.046 15.637 11.309 1.00 25.00 O ATOM 1394 NE2 GLN A 89 8.754 16.874 9.619 1.00 25.00 N ATOM 0 H GLN A 89 4.854 15.982 7.795 1.00 25.00 H new ATOM 0 HA GLN A 89 3.354 14.879 10.062 1.00 25.00 H new ATOM 0 HB2 GLN A 89 5.359 15.393 11.329 1.00 25.00 H new ATOM 0 HB3 GLN A 89 5.837 14.564 9.862 1.00 25.00 H new ATOM 0 HG2 GLN A 89 6.363 16.829 8.840 1.00 25.00 H new ATOM 0 HG3 GLN A 89 6.045 17.552 10.404 1.00 25.00 H new ATOM 0 HE21 GLN A 89 8.517 17.458 8.817 1.00 25.00 H new ATOM 0 HE22 GLN A 89 9.732 16.707 9.857 1.00 25.00 H new ATOM 1403 N ALA A 90 2.874 17.015 11.356 1.00 25.00 N ATOM 1404 CA ALA A 90 2.432 18.258 11.969 1.00 25.00 C ATOM 1405 C ALA A 90 3.706 19.017 12.344 1.00 25.00 C ATOM 1406 O ALA A 90 4.664 18.415 12.832 1.00 25.00 O ATOM 1407 CB ALA A 90 1.576 17.971 13.211 1.00 25.00 C ATOM 0 H ALA A 90 2.729 16.183 11.928 1.00 25.00 H new ATOM 0 HA ALA A 90 1.811 18.843 11.291 1.00 25.00 H new ATOM 0 HB1 ALA A 90 1.254 18.912 13.657 1.00 25.00 H new ATOM 0 HB2 ALA A 90 0.701 17.388 12.923 1.00 25.00 H new ATOM 0 HB3 ALA A 90 2.164 17.409 13.936 1.00 25.00 H new ATOM 1413 N LYS A 91 3.733 20.316 12.091 1.00 25.00 N ATOM 1414 CA LYS A 91 4.933 21.118 12.313 1.00 25.00 C ATOM 1415 C LYS A 91 4.534 22.520 12.741 1.00 25.00 C ATOM 1416 O LYS A 91 3.376 22.903 12.597 1.00 25.00 O ATOM 1417 CB LYS A 91 5.733 21.171 11.007 1.00 25.00 C ATOM 1418 CG LYS A 91 7.235 21.297 11.193 1.00 25.00 C ATOM 1419 CD LYS A 91 7.909 21.384 9.844 1.00 25.00 C ATOM 1420 CE LYS A 91 9.412 21.520 9.986 1.00 25.00 C ATOM 1421 NZ LYS A 91 10.005 21.789 8.642 1.00 25.00 N ATOM 0 H LYS A 91 2.937 20.842 11.731 1.00 25.00 H new ATOM 0 HA LYS A 91 5.544 20.674 13.099 1.00 25.00 H new ATOM 0 HB2 LYS A 91 5.525 20.269 10.432 1.00 25.00 H new ATOM 0 HB3 LYS A 91 5.381 22.015 10.414 1.00 25.00 H new ATOM 0 HG2 LYS A 91 7.465 22.184 11.783 1.00 25.00 H new ATOM 0 HG3 LYS A 91 7.616 20.439 11.746 1.00 25.00 H new ATOM 0 HD2 LYS A 91 7.676 20.493 9.261 1.00 25.00 H new ATOM 0 HD3 LYS A 91 7.515 22.238 9.293 1.00 25.00 H new ATOM 0 HE2 LYS A 91 9.653 22.331 10.673 1.00 25.00 H new ATOM 0 HE3 LYS A 91 9.834 20.608 10.408 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 11.040 21.699 8.695 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 9.633 21.103 7.955 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 9.756 22.752 8.339 1.00 25.00 H new ATOM 1435 N ILE A 92 5.497 23.280 13.237 1.00 25.00 N ATOM 1436 CA ILE A 92 5.302 24.667 13.617 1.00 25.00 C ATOM 1437 C ILE A 92 6.412 25.393 12.874 1.00 25.00 C ATOM 1438 O ILE A 92 7.575 25.013 12.968 1.00 25.00 O ATOM 1439 CB ILE A 92 5.442 24.887 15.160 1.00 25.00 C ATOM 1440 CG1 ILE A 92 4.380 24.054 15.914 1.00 25.00 C ATOM 1441 CG2 ILE A 92 5.290 26.398 15.507 1.00 25.00 C ATOM 1442 CD1 ILE A 92 4.558 24.022 17.445 1.00 25.00 C ATOM 0 H ILE A 92 6.448 22.945 13.388 1.00 25.00 H new ATOM 0 HA ILE A 92 4.301 25.021 13.370 1.00 25.00 H new ATOM 0 HB ILE A 92 6.433 24.558 15.472 1.00 25.00 H new ATOM 0 HG12 ILE A 92 3.393 24.455 15.684 1.00 25.00 H new ATOM 0 HG13 ILE A 92 4.404 23.032 15.537 1.00 25.00 H new ATOM 0 HG21 ILE A 92 5.390 26.536 16.584 1.00 25.00 H new ATOM 0 HG22 ILE A 92 6.065 26.969 14.995 1.00 25.00 H new ATOM 0 HG23 ILE A 92 4.309 26.748 15.186 1.00 25.00 H new ATOM 0 HD11 ILE A 92 3.769 23.415 17.890 1.00 25.00 H new ATOM 0 HD12 ILE A 92 5.529 23.591 17.689 1.00 25.00 H new ATOM 0 HD13 ILE A 92 4.502 25.037 17.839 1.00 25.00 H new ATOM 1454 N GLU A 93 6.028 26.399 12.113 1.00 25.00 N ATOM 1455 CA GLU A 93 6.946 27.222 11.329 1.00 25.00 C ATOM 1456 C GLU A 93 6.599 28.666 11.672 1.00 25.00 C ATOM 1457 O GLU A 93 5.495 28.923 12.164 1.00 25.00 O ATOM 1458 CB GLU A 93 6.711 26.994 9.831 1.00 25.00 C ATOM 1459 CG GLU A 93 7.077 25.596 9.319 1.00 25.00 C ATOM 1460 CD GLU A 93 8.572 25.417 9.054 1.00 25.00 C ATOM 1461 OE1 GLU A 93 9.373 26.306 9.399 1.00 25.00 O ATOM 1462 OE2 GLU A 93 8.942 24.368 8.473 1.00 25.00 O ATOM 0 H GLU A 93 5.052 26.678 12.016 1.00 25.00 H new ATOM 0 HA GLU A 93 7.985 26.980 11.551 1.00 25.00 H new ATOM 0 HB2 GLU A 93 5.660 27.180 9.612 1.00 25.00 H new ATOM 0 HB3 GLU A 93 7.288 27.731 9.273 1.00 25.00 H new ATOM 0 HG2 GLU A 93 6.754 24.854 10.049 1.00 25.00 H new ATOM 0 HG3 GLU A 93 6.527 25.399 8.399 1.00 25.00 H new ATOM 1469 N GLU A 94 7.500 29.604 11.407 1.00 25.00 N ATOM 1470 CA GLU A 94 7.234 31.012 11.680 1.00 25.00 C ATOM 1471 C GLU A 94 7.662 31.940 10.536 1.00 25.00 C ATOM 1472 O GLU A 94 8.673 31.722 9.875 1.00 25.00 O ATOM 1473 CB GLU A 94 7.926 31.430 12.988 1.00 25.00 C ATOM 1474 CG GLU A 94 9.462 31.383 12.962 1.00 25.00 C ATOM 1475 CD GLU A 94 10.072 31.839 14.283 1.00 25.00 C ATOM 1476 OE1 GLU A 94 9.915 33.031 14.628 1.00 25.00 O ATOM 1477 OE2 GLU A 94 10.716 31.016 14.970 1.00 25.00 O ATOM 0 H GLU A 94 8.418 29.417 11.005 1.00 25.00 H new ATOM 0 HA GLU A 94 6.153 31.117 11.778 1.00 25.00 H new ATOM 0 HB2 GLU A 94 7.614 32.444 13.237 1.00 25.00 H new ATOM 0 HB3 GLU A 94 7.573 30.782 13.790 1.00 25.00 H new ATOM 0 HG2 GLU A 94 9.790 30.367 12.744 1.00 25.00 H new ATOM 0 HG3 GLU A 94 9.830 32.017 12.155 1.00 25.00 H new ATOM 1484 N ASP A 95 6.880 32.992 10.335 1.00 25.00 N ATOM 1485 CA ASP A 95 7.212 34.074 9.400 1.00 25.00 C ATOM 1486 C ASP A 95 6.573 35.336 9.971 1.00 25.00 C ATOM 1487 O ASP A 95 5.467 35.724 9.587 1.00 25.00 O ATOM 1488 CB ASP A 95 6.693 33.816 7.976 1.00 25.00 C ATOM 1489 CG ASP A 95 7.162 34.891 6.985 1.00 25.00 C ATOM 1490 OD1 ASP A 95 6.622 34.971 5.855 1.00 25.00 O ATOM 1491 OD2 ASP A 95 8.090 35.659 7.333 1.00 25.00 O ATOM 0 H ASP A 95 5.991 33.125 10.816 1.00 25.00 H new ATOM 0 HA ASP A 95 8.295 34.159 9.306 1.00 25.00 H new ATOM 0 HB2 ASP A 95 7.035 32.838 7.638 1.00 25.00 H new ATOM 0 HB3 ASP A 95 5.603 33.786 7.988 1.00 25.00 H new ATOM 1496 N ILE A 96 7.234 35.934 10.953 1.00 25.00 N ATOM 1497 CA ILE A 96 6.700 37.108 11.660 1.00 25.00 C ATOM 1498 C ILE A 96 6.916 38.375 10.805 1.00 25.00 C ATOM 1499 O ILE A 96 7.531 39.355 11.221 1.00 25.00 O ATOM 1500 CB ILE A 96 7.332 37.267 13.092 1.00 25.00 C ATOM 1501 CG1 ILE A 96 7.428 35.890 13.797 1.00 25.00 C ATOM 1502 CG2 ILE A 96 6.458 38.235 13.963 1.00 25.00 C ATOM 1503 CD1 ILE A 96 8.124 35.920 15.170 1.00 25.00 C ATOM 0 H ILE A 96 8.148 35.628 11.286 1.00 25.00 H new ATOM 0 HA ILE A 96 5.630 36.962 11.807 1.00 25.00 H new ATOM 0 HB ILE A 96 8.333 37.683 12.980 1.00 25.00 H new ATOM 0 HG12 ILE A 96 6.422 35.490 13.923 1.00 25.00 H new ATOM 0 HG13 ILE A 96 7.966 35.200 13.147 1.00 25.00 H new ATOM 0 HG21 ILE A 96 6.905 38.338 14.952 1.00 25.00 H new ATOM 0 HG22 ILE A 96 6.410 39.213 13.483 1.00 25.00 H new ATOM 0 HG23 ILE A 96 5.451 37.828 14.060 1.00 25.00 H new ATOM 0 HD11 ILE A 96 8.146 34.914 15.589 1.00 25.00 H new ATOM 0 HD12 ILE A 96 9.144 36.287 15.053 1.00 25.00 H new ATOM 0 HD13 ILE A 96 7.576 36.581 15.841 1.00 25.00 H new ATOM 1515 N ARG A 97 6.409 38.329 9.581 1.00 25.00 N ATOM 1516 CA ARG A 97 6.566 39.413 8.611 1.00 25.00 C ATOM 1517 C ARG A 97 5.517 40.496 8.760 1.00 25.00 C ATOM 1518 O ARG A 97 5.444 41.449 7.988 1.00 25.00 O ATOM 1519 CB ARG A 97 6.494 38.821 7.204 1.00 25.00 C ATOM 1520 CG ARG A 97 7.683 39.157 6.333 1.00 25.00 C ATOM 1521 CD ARG A 97 7.674 38.269 5.108 1.00 25.00 C ATOM 1522 NE ARG A 97 8.834 38.506 4.234 1.00 25.00 N ATOM 1523 CZ ARG A 97 9.473 37.564 3.547 1.00 25.00 C ATOM 1524 NH1 ARG A 97 9.136 36.299 3.608 1.00 25.00 N ATOM 1525 NH2 ARG A 97 10.476 37.908 2.782 1.00 25.00 N ATOM 0 H ARG A 97 5.874 37.536 9.227 1.00 25.00 H new ATOM 0 HA ARG A 97 7.532 39.885 8.793 1.00 25.00 H new ATOM 0 HB2 ARG A 97 6.408 37.737 7.281 1.00 25.00 H new ATOM 0 HB3 ARG A 97 5.587 39.179 6.717 1.00 25.00 H new ATOM 0 HG2 ARG A 97 7.646 40.205 6.036 1.00 25.00 H new ATOM 0 HG3 ARG A 97 8.608 39.016 6.891 1.00 25.00 H new ATOM 0 HD2 ARG A 97 7.665 37.225 5.420 1.00 25.00 H new ATOM 0 HD3 ARG A 97 6.757 38.441 4.545 1.00 25.00 H new ATOM 0 HE ARG A 97 9.173 39.464 4.149 1.00 25.00 H new ATOM 0 HH11 ARG A 97 8.358 36.007 4.199 1.00 25.00 H new ATOM 0 HH12 ARG A 97 9.652 35.607 3.065 1.00 25.00 H new ATOM 0 HH21 ARG A 97 10.757 38.886 2.719 1.00 25.00 H new ATOM 0 HH22 ARG A 97 10.977 37.198 2.248 1.00 25.00 H new ATOM 1539 N GLN A 98 4.705 40.331 9.783 1.00 25.00 N ATOM 1540 CA GLN A 98 3.614 41.247 10.115 1.00 25.00 C ATOM 1541 C GLN A 98 3.730 41.744 11.556 1.00 25.00 C ATOM 1542 O GLN A 98 3.395 41.112 12.535 1.00 25.00 O ATOM 1543 CB GLN A 98 2.238 40.608 9.812 1.00 25.00 C ATOM 1544 CG GLN A 98 1.116 41.659 9.924 1.00 25.00 C ATOM 1545 CD GLN A 98 -0.211 41.098 9.475 1.00 25.00 C ATOM 1546 OE1 GLN A 98 -0.542 39.950 9.602 1.00 25.00 O ATOM 1547 NE2 GLN A 98 -1.036 41.958 8.896 1.00 25.00 N ATOM 1548 OXT GLN A 98 4.256 42.932 11.638 1.00 25.00 O ATOM 0 H GLN A 98 4.780 39.542 10.425 1.00 25.00 H new ATOM 0 HA GLN A 98 3.697 42.126 9.475 1.00 25.00 H new ATOM 0 HB2 GLN A 98 2.243 40.179 8.810 1.00 25.00 H new ATOM 0 HB3 GLN A 98 2.049 39.791 10.508 1.00 25.00 H new ATOM 0 HG2 GLN A 98 1.038 42.001 10.956 1.00 25.00 H new ATOM 0 HG3 GLN A 98 1.369 42.529 9.318 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -0.760 42.934 8.786 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -1.947 41.644 8.561 1.00 25.00 H new TER 1558 GLN A 98